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+%% This BibTeX bibliography file was created using BibDesk.
+%% https://bibdesk.sourceforge.io/
+
+%% Created for Attila Cangi at 2024-04-17 12:27:26 +0200 
+
+
+%% Saved with string encoding Unicode (UTF-8) 
+
+
+
+@misc{CRBC24,
+	author = {Cangi, Attila and Rajamanickam, Sivasankaran and Brzoza, Bartosz and Callow, Timothy J. and Ellis, J. Austin and Faruk, Omar and Fiedler, Lenz and Fox, James S. and Hoffmann, Nils and Miller, Kyle D. and Kotik, Daniel and Kulkarni, Somashekar and Modine, Normand A. and Mohammed, Parvez and Oles, Vladyslav and Popoola, Gabriel A. and P{\"o}schel, Franz and Romero, Josh and Schmerler, Steve and Stephens, J. Adam and Tahmasbi, Hossein and Thompson, Aidan P. and Verma, Sneha and Vogel, D. Jon},
+	copyright = {BSD 3-Clause "New" or "Revised" License},
+	date-added = {2024-04-17 12:24:02 +0200},
+	date-modified = {2024-04-17 12:24:06 +0200},
+	doi = {10.5281/ZENODO.10604175},
+	keywords = {machine-learning, dft},
+	publisher = {Zenodo},
+	title = {MALA},
+	url = {https://zenodo.org/doi/10.5281/zenodo.10604175},
+	year = {2024},
+	bdsk-url-1 = {https://zenodo.org/doi/10.5281/zenodo.10604175},
+	bdsk-url-2 = {https://doi.org/10.5281/ZENODO.10604175}}
+
+@misc{CKTR23,
+	author = {Callow, Timothy and Kotik, Daniel and Tsvetoslavova Stankulova, Ekaterina and Rahat, Nathan and Kraisler, Eli and Cangi, Attila},
+	copyright = {BSD 3-Clause "New" or "Revised" License},
+	date-added = {2024-04-17 12:23:46 +0200},
+	date-modified = {2024-04-17 12:23:51 +0200},
+	doi = {10.5281/ZENODO.10090435},
+	keywords = {density-functional-theory, plasma-physics, electronic-structure, atomic-physics, warm-dense-matter},
+	publisher = {Zenodo},
+	title = {atoMEC},
+	url = {https://zenodo.org/doi/10.5281/zenodo.10090435},
+	year = {2023},
+	bdsk-url-1 = {https://zenodo.org/doi/10.5281/zenodo.10090435},
+	bdsk-url-2 = {https://doi.org/10.5281/ZENODO.10090435}}
+
+@inbook{FSC23,
+	author = {Fiedler, Lenz and Shah, Karan and Cangi, Attila},
+	booktitle = {Machine Learning in Molecular Sciences},
+	date-added = {2024-04-17 12:23:27 +0200},
+	date-modified = {2024-04-17 12:23:32 +0200},
+	doi = {10.1007/978-3-031-37196-7_5},
+	isbn = {9783031371967},
+	issn = {2542-4483},
+	pages = {113--160},
+	publisher = {Springer International Publishing},
+	title = {Machine-Learning for Static and Dynamic Electronic Structure Theory},
+	url = {http://dx.doi.org/10.1007/978-3-031-37196-7_5},
+	year = {2023},
+	bdsk-url-1 = {http://dx.doi.org/10.1007/978-3-031-37196-7_5}}
+
+@article{CP18,
+	author = {Cangi, Attila and Parks, Michael L.},
+	date-added = {2024-04-17 12:23:00 +0200},
+	date-modified = {2024-04-17 12:23:06 +0200},
+	doi = {10.2172/1762384},
+	month = {12},
+	place = {United States},
+	title = {Summer Proceedings 2018: The Center for Computing Research at Sandia National Laboratories},
+	url = {https://www.osti.gov/biblio/1762384},
+	year = {2018},
+	bdsk-url-1 = {https://www.osti.gov/biblio/1762384},
+	bdsk-url-2 = {https://doi.org/10.2172/1762384}}
+
+@article{C18,
+	author = {Cangi, Attila},
+	date-added = {2024-04-17 12:20:56 +0200},
+	date-modified = {2024-04-17 12:20:57 +0200},
+	doi = {10.2172/1530147},
+	month = {7},
+	place = {United States},
+	title = {An Exchange-Correlation Functional Capturing Bulk Surface and Confinement Physics},
+	url = {https://www.osti.gov/biblio/1530147},
+	year = {2018},
+	bdsk-url-1 = {https://www.osti.gov/biblio/1530147},
+	bdsk-url-2 = {https://doi.org/10.2172/1530147}}
+
+@article{CSDM19,
+	author = {Cangi, Attila and Sagredo, Francisca and Decolvenaere, Elizabeth and Mattsson, Ann E.},
+	date-added = {2024-04-17 12:20:14 +0200},
+	date-modified = {2024-04-17 12:20:15 +0200},
+	doi = {10.2172/1569522},
+	month = {9},
+	place = {United States},
+	title = {Semi-local Density Functional Approximations for Bulk, Surface, and Confinement Physics},
+	url = {https://www.osti.gov/biblio/1569522},
+	year = {2019},
+	bdsk-url-1 = {https://www.osti.gov/biblio/1569522},
+	bdsk-url-2 = {https://doi.org/10.2172/1569522}}
+
+@article{MSST22,
+	author = {Modine, Normand A. and Stephens, John A. and Swiler, Laura Painton and Thompson, Aidan and Vogel, Dayton J. and Feilder, Lenz and Cangi, Attila and Rajamanickam, Sivasankaran},
+	date-added = {2024-04-17 12:18:59 +0200},
+	date-modified = {2024-04-17 12:19:01 +0200},
+	doi = {10.2172/1889336},
+	month = {9},
+	place = {United States},
+	title = {Accelerating Multiscale Materials Modeling with Machine Learning},
+	url = {https://www.osti.gov/biblio/1889336},
+	year = {2022},
+	bdsk-url-1 = {https://www.osti.gov/biblio/1889336},
+	bdsk-url-2 = {https://doi.org/10.2172/1889336}}
+
+@article{HBGH22,
+	author = {Hansen, Stephanie B. and Baczewski, Andrew David and Gomez, Thomas and Hentschel, T. W. and Jennings, Christopher A. and Kononov, Alina and Nagayama, Taisuke and Adler, Kelsey and Cangi, A. and Cochrane, Kyle and Robinson, Brian and Schleife, A.},
+	date-added = {2024-04-17 12:18:06 +0200},
+	date-modified = {2024-04-17 12:18:09 +0200},
+	doi = {10.2172/1890268},
+	month = {9},
+	place = {United States},
+	title = {Improving Predictive Capability in REHEDS Simulations with Fast, Accurate, and Consistent Non-Equilibrium Material Properties},
+	url = {https://www.osti.gov/biblio/1890268},
+	year = {2022},
+	bdsk-url-1 = {https://www.osti.gov/biblio/1890268},
+	bdsk-url-2 = {https://doi.org/10.2172/1890268}}
+
+@article{NCTR22,
+	author = {Nikolov, Svetoslav and Cangi, Attila and Tranchida, Julien and Rohskopf, Andrew and Desjarlais, Michael and Wood, Mitchell A.},
+	date-added = {2024-04-17 12:17:04 +0200},
+	date-modified = {2024-04-17 12:17:06 +0200},
+	doi = {10.2172/1898251},
+	month = {9},
+	place = {United States},
+	title = {Quantum-Accurate Multiscale Modeling of Shock Hugoniots, Ramp Compression Paths, Structural and Magnetic Phase Transitions, and Transport Properties in Highly Compressed Metals},
+	url = {https://www.osti.gov/biblio/1898251},
+	year = {2022},
+	bdsk-url-1 = {https://www.osti.gov/biblio/1898251},
+	bdsk-url-2 = {https://doi.org/10.2172/1898251}}
+
+@article{ELCB08,
+	author = {Elliott, Peter and Lee, Donghyung and Cangi, Attila and Burke, Kieron},
+	date-added = {2024-04-17 12:14:56 +0200},
+	date-modified = {2024-04-17 12:14:58 +0200},
+	doi = {10.1103/PhysRevLett.100.256406},
+	issue = {25},
+	journal = {Phys. Rev. Lett.},
+	month = {Jun},
+	numpages = {4},
+	pages = {256406},
+	publisher = {American Physical Society},
+	title = {Semiclassical Origins of Density Functionals},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.100.256406},
+	volume = {100},
+	year = {2008},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.100.256406},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevLett.100.256406}}
+
+@article{CLEB10,
+	author = {Cangi, Attila and Lee, Donghyung and Elliott, Peter and Burke, Kieron},
+	date-added = {2024-04-17 12:14:36 +0200},
+	date-modified = {2024-04-17 12:14:39 +0200},
+	doi = {10.1103/PhysRevB.81.235128},
+	issue = {23},
+	journal = {Phys. Rev. B},
+	month = {Jun},
+	numpages = {14},
+	pages = {235128},
+	publisher = {American Physical Society},
+	title = {Leading corrections to local approximations},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.81.235128},
+	volume = {81},
+	year = {2010},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.81.235128},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.81.235128}}
+
+@article{CLEB11,
+	author = {Cangi, Attila and Lee, Donghyung and Elliott, Peter and Burke, Kieron and Gross, E. K. U.},
+	date-added = {2024-04-17 12:12:53 +0200},
+	date-modified = {2024-04-17 12:12:56 +0200},
+	doi = {10.1103/PhysRevLett.106.236404},
+	issue = {23},
+	journal = {Phys. Rev. Lett.},
+	month = {Jun},
+	numpages = {4},
+	pages = {236404},
+	publisher = {American Physical Society},
+	title = {Electronic Structure via Potential Functional Approximations},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.106.236404},
+	volume = {106},
+	year = {2011},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.106.236404},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevLett.106.236404}}
+
+@article{CGB13,
+	author = {Cangi, Attila and Gross, E. K. U. and Burke, Kieron},
+	date-added = {2024-04-17 12:12:34 +0200},
+	date-modified = {2024-04-17 12:12:37 +0200},
+	doi = {10.1103/PhysRevA.88.062505},
+	issue = {6},
+	journal = {Phys. Rev. A},
+	month = {Dec},
+	numpages = {14},
+	pages = {062505},
+	publisher = {American Physical Society},
+	title = {Potential functionals versus density functionals},
+	url = {https://link.aps.org/doi/10.1103/PhysRevA.88.062505},
+	volume = {88},
+	year = {2013},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.88.062505},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevA.88.062505}}
+
+@article{MCBS14,
+	author = {Mirhosseini, H. and Cangi, A. and Baldsiefen, T. and Sanna, A. and Proetto, C. R. and Gross, E. K. U.},
+	date-added = {2024-04-17 12:12:16 +0200},
+	date-modified = {2024-04-17 12:12:19 +0200},
+	doi = {10.1103/PhysRevB.89.220102},
+	issue = {22},
+	journal = {Phys. Rev. B},
+	month = {Jun},
+	numpages = {5},
+	pages = {220102},
+	publisher = {American Physical Society},
+	title = {Virial theorem and exact properties of density functionals for periodic systems},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.89.220102},
+	volume = {89},
+	year = {2014},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.89.220102},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.89.220102}}
+
+@article{RLCE15,
+	author = {Ribeiro, Raphael F. and Lee, Donghyung and Cangi, Attila and Elliott, Peter and Burke, Kieron},
+	date-added = {2024-04-17 12:11:56 +0200},
+	date-modified = {2024-04-17 12:11:58 +0200},
+	doi = {10.1103/PhysRevLett.114.050401},
+	issue = {5},
+	journal = {Phys. Rev. Lett.},
+	month = {Feb},
+	numpages = {5},
+	pages = {050401},
+	publisher = {American Physical Society},
+	title = {Corrections to Thomas-Fermi Densities at Turning Points and Beyond},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.114.050401},
+	volume = {114},
+	year = {2015},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.114.050401},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevLett.114.050401}}
+
+@article{ECPG15,
+	author = {Elliott, Peter and Cangi, Attila and Pittalis, Stefano and Gross, E. K. U. and Burke, Kieron},
+	date-added = {2024-04-17 12:10:18 +0200},
+	date-modified = {2024-04-17 12:10:21 +0200},
+	doi = {10.1103/PhysRevA.92.022513},
+	issue = {2},
+	journal = {Phys. Rev. A},
+	month = {Aug},
+	numpages = {5},
+	pages = {022513},
+	publisher = {American Physical Society},
+	title = {Almost exact exchange at almost no computational cost in electronic structure},
+	url = {https://link.aps.org/doi/10.1103/PhysRevA.92.022513},
+	volume = {92},
+	year = {2015},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.92.022513},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevA.92.022513}}
+
+@article{CP15,
+	author = {Cangi, Attila and Pribram-Jones, Aurora},
+	date-added = {2024-04-17 12:10:00 +0200},
+	date-modified = {2024-04-17 12:10:02 +0200},
+	doi = {10.1103/PhysRevB.92.161113},
+	issue = {16},
+	journal = {Phys. Rev. B},
+	month = {Oct},
+	numpages = {5},
+	pages = {161113},
+	publisher = {American Physical Society},
+	title = {Efficient formalism for warm dense matter simulations},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.92.161113},
+	volume = {92},
+	year = {2015},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.92.161113},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.92.161113}}
+
+@article{BCG15,
+	author = {Baldsiefen, Tim and Cangi, Attila and Gross, E. K. U.},
+	date-added = {2024-04-17 12:09:40 +0200},
+	date-modified = {2024-04-17 12:09:43 +0200},
+	doi = {10.1103/PhysRevA.92.052514},
+	issue = {5},
+	journal = {Phys. Rev. A},
+	month = {Nov},
+	numpages = {10},
+	pages = {052514},
+	publisher = {American Physical Society},
+	title = {Reduced-density-matrix-functional theory at finite temperature: Theoretical foundations},
+	url = {https://link.aps.org/doi/10.1103/PhysRevA.92.052514},
+	volume = {92},
+	year = {2015},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.92.052514},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevA.92.052514}}
+
+@article{BCEG17,
+	author = {Baldsiefen, Tim and Cangi, Attila and Eich, F. G. and Gross, E. K. U.},
+	date-added = {2024-04-17 12:09:19 +0200},
+	date-modified = {2024-04-17 12:09:22 +0200},
+	doi = {10.1103/PhysRevA.96.062508},
+	issue = {6},
+	journal = {Phys. Rev. A},
+	month = {Dec},
+	numpages = {18},
+	pages = {062508},
+	publisher = {American Physical Society},
+	title = {Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas},
+	url = {https://link.aps.org/doi/10.1103/PhysRevA.96.062508},
+	volume = {96},
+	year = {2017},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.96.062508},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevA.96.062508}}
+
+@article{DCRB20,
+	author = {Dornheim, Tobias and Cangi, Attila and Ramakrishna, Kushal and B\"ohme, Maximilian and Tanaka, Shigenori and Vorberger, Jan},
+	date-added = {2024-04-17 12:09:02 +0200},
+	date-modified = {2024-04-17 12:09:04 +0200},
+	doi = {10.1103/PhysRevLett.125.235001},
+	issue = {23},
+	journal = {Phys. Rev. Lett.},
+	month = {Dec},
+	numpages = {8},
+	pages = {235001},
+	publisher = {American Physical Society},
+	title = {Effective Static Approximation: A Fast and Reliable Tool for Warm-Dense Matter Theory},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.125.235001},
+	volume = {125},
+	year = {2020},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.125.235001},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevLett.125.235001}}
+
+@article{RCDB21,
+	author = {Ramakrishna, Kushal and Cangi, Attila and Dornheim, Tobias and Baczewski, Andrew and Vorberger, Jan},
+	date-added = {2024-04-17 12:08:43 +0200},
+	date-modified = {2024-04-17 12:08:47 +0200},
+	doi = {10.1103/PhysRevB.103.125118},
+	issue = {12},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {15},
+	pages = {125118},
+	publisher = {American Physical Society},
+	title = {First-principles modeling of plasmons in aluminum under ambient and extreme conditions},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.103.125118},
+	volume = {103},
+	year = {2021},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.103.125118},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.103.125118}}
+
+@article{DMC21,
+	abstract = {The electronic structure in matter under extreme conditions is a challenging complex system prevalent in astrophysical objects and highly relevant for technological applications. We show how machine-learning surrogates in terms of neural networks have a profound impact on the efficient modeling of matter under extreme conditions. We demonstrate the utility of a surrogate model that is trained on \emph{ab initio} quantum Monte Carlo data for various applications in the emerging field of warm dense matter research.},
+	author = {Tobias Dornheim and Zhandos Moldabekov and Attila Cangi},
+	date-added = {2024-04-17 12:08:10 +0200},
+	date-modified = {2024-04-17 12:08:10 +0200},
+	eprint = {2104.02941},
+	month = {04},
+	title = {A Machine-Learning Surrogate Model for ab initio Electronic Correlations at Extreme Conditions},
+	url = {https://arxiv.org/pdf/2104.02941.pdf},
+	year = {2021},
+	bdsk-url-1 = {https://arxiv.org/pdf/2104.02941.pdf},
+	bdsk-url-2 = {https://arxiv.org/abs/2104.02941}}
+
+@article{EFPM21,
+	author = {Ellis, J. A. and Fiedler, L. and Popoola, G. A. and Modine, N. A. and Stephens, J. A. and Thompson, A. P. and Cangi, A. and Rajamanickam, S.},
+	date-added = {2024-04-17 12:07:54 +0200},
+	date-modified = {2024-04-17 12:07:57 +0200},
+	doi = {10.1103/PhysRevB.104.035120},
+	issue = {3},
+	journal = {Phys. Rev. B},
+	month = {Jul},
+	numpages = {17},
+	pages = {035120},
+	publisher = {American Physical Society},
+	title = {Accelerating finite-temperature Kohn-Sham density functional theory with deep neural networks},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.104.035120},
+	volume = {104},
+	year = {2021},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.104.035120},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.104.035120}}
+
+@article{MDBV21,
+	author = {Moldabekov, Zhandos and Dornheim, Tobias and B{\"o}hme, Maximilian and Vorberger, Jan and Cangi, Attila},
+	date-added = {2024-04-17 12:07:30 +0200},
+	date-modified = {2024-04-17 12:07:33 +0200},
+	doi = {10.1063/5.0062325},
+	issn = {1089-7690},
+	journal = {The Journal of Chemical Physics},
+	month = sep,
+	number = {12},
+	publisher = {AIP Publishing},
+	title = {The relevance of electronic perturbations in the warm dense electron gas},
+	url = {http://dx.doi.org/10.1063/5.0062325},
+	volume = {155},
+	year = {2021},
+	bdsk-url-1 = {http://dx.doi.org/10.1063/5.0062325}}
+
+@article{NWCM21,
+	author = {Nikolov, Svetoslav and Wood, Mitchell A. and Cangi, Attila and Maillet, Jean-Bernard and Marinica, Mihai-Cosmin and Thompson, Aidan P. and Desjarlais, Michael P. and Tranchida, Julien},
+	date-added = {2024-04-17 12:06:58 +0200},
+	date-modified = {2024-04-17 12:07:01 +0200},
+	doi = {10.1038/s41524-021-00617-2},
+	issn = {2057-3960},
+	journal = {npj Computational Materials},
+	month = sep,
+	number = {1},
+	publisher = {Springer Science and Business Media LLC},
+	title = {Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics},
+	url = {http://dx.doi.org/10.1038/s41524-021-00617-2},
+	volume = {7},
+	year = {2021},
+	bdsk-url-1 = {http://dx.doi.org/10.1038/s41524-021-00617-2}}
+
+@article{MABS21,
+	author = {Moldabekov, Z. A. and Aldakul, Y. K. and Bastykova, N. K. and Sundar, S. and Cangi, A.},
+	date-added = {2024-04-17 12:06:30 +0200},
+	date-modified = {2024-04-17 12:06:32 +0200},
+	doi = {10.1103/PhysRevResearch.3.043187},
+	issue = {4},
+	journal = {Phys. Rev. Res.},
+	month = {Dec},
+	numpages = {8},
+	pages = {043187},
+	publisher = {American Physical Society},
+	title = {Higher harmonics in complex plasmas with alternating screening},
+	url = {https://link.aps.org/doi/10.1103/PhysRevResearch.3.043187},
+	volume = {3},
+	year = {2021},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevResearch.3.043187},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevResearch.3.043187}}
+
+@article{MDC22,
+	author = {Moldabekov, Zhandos A. and Dornheim, Tobias and Cangi, Attila},
+	date-added = {2024-04-17 12:06:09 +0200},
+	date-modified = {2024-04-17 12:06:11 +0200},
+	doi = {10.1038/s41598-022-05034-z},
+	issn = {2045-2322},
+	journal = {Scientific Reports},
+	month = jan,
+	number = {1},
+	publisher = {Springer Science and Business Media LLC},
+	title = {Thermal excitation signals in the inhomogeneous warm dense electron gas},
+	url = {http://dx.doi.org/10.1038/s41598-022-05034-z},
+	volume = {12},
+	year = {2022},
+	bdsk-url-1 = {http://dx.doi.org/10.1038/s41598-022-05034-z}}
+
+@article{MDVC22,
+	author = {Moldabekov, Zhandos and Dornheim, Tobias and Vorberger, Jan and Cangi, Attila},
+	date-added = {2024-04-17 12:05:41 +0200},
+	date-modified = {2024-04-17 12:05:44 +0200},
+	doi = {10.1103/PhysRevB.105.035134},
+	issue = {3},
+	journal = {Phys. Rev. B},
+	month = {Jan},
+	numpages = {13},
+	pages = {035134},
+	publisher = {American Physical Society},
+	title = {Benchmarking exchange-correlation functionals in the spin-polarized inhomogeneous electron gas under warm dense conditions},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.105.035134},
+	volume = {105},
+	year = {2022},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.105.035134},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.105.035134}}
+
+@article{MDGG22,
+	author = {Z. A. Moldabekov and T. Dornheim and G. Gregori and F. Graziani and M. Bonitz and A. Cangi},
+	date-added = {2024-04-17 12:05:17 +0200},
+	date-modified = {2024-04-17 12:05:19 +0200},
+	doi = {10.21468/SciPostPhys.12.2.062},
+	journal = {SciPost Phys.},
+	pages = {062},
+	publisher = {SciPost},
+	title = {{Towards a quantum fluid theory of correlated many-fermion systems from first principles}},
+	url = {https://scipost.org/10.21468/SciPostPhys.12.2.062},
+	volume = {12},
+	year = {2022},
+	bdsk-url-1 = {https://scipost.org/10.21468/SciPostPhys.12.2.062},
+	bdsk-url-2 = {https://doi.org/10.21468/SciPostPhys.12.2.062}}
+
+@article{NTRL22,
+	abstract = {Computational tools to study thermodynamic properties of magnetic materials have, until recently, been limited to phenomenological modeling or to small domain sizes limiting our mechanistic understanding of thermal transport in ferromagnets. Herein, we study the interplay of phonon and magnetic spin contributions to the thermal conductivity in {\$}{\$}{\backslash}alpha{\$}{\$}-iron utilizing non-equilibrium molecular dynamics simulations. It was observed that the magnetic spin contribution to the total thermal conductivity exceeds lattice transport for temperatures up to two-thirds of the Curie temperature after which only strongly coupled magnon-phonon modes become active heat carriers. Characterizations of the phonon and magnon spectra give a detailed insight into the coupling between these heat carriers, and the temperature sensitivity of these coupled systems. Comparisons to both experiments and ab initio data support our inferred electronic thermal conductivity, supporting the coupled molecular dynamics/spin dynamics framework as a viable method to extend the predictive capability for magnetic material properties.},
+	author = {Nikolov, S. and Tranchida, J. and Ramakrishna, K. and Lokamani, M. and Cangi, A. and Wood, M. A.},
+	date-added = {2024-04-17 12:05:00 +0200},
+	date-modified = {2024-04-17 12:05:03 +0200},
+	day = {01},
+	doi = {10.1007/s10853-021-06865-3},
+	issn = {1573-4803},
+	journal = {Journal of Materials Science},
+	month = {Jun},
+	number = {23},
+	pages = {10535--10548},
+	title = {Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in alpha-iron},
+	url = {https://link.springer.com/content/pdf/10.1007/s10853-021-06865-3.pdf},
+	volume = {57},
+	year = {2022},
+	bdsk-url-1 = {https://link.springer.com/content/pdf/10.1007/s10853-021-06865-3.pdf},
+	bdsk-url-2 = {https://doi.org/10.1007/s10853-021-06865-3}}
+
+@article{FSBC22,
+	author = {Fiedler, L. and Shah, K. and Bussmann, M. and Cangi, A.},
+	date-added = {2024-04-17 12:04:42 +0200},
+	date-modified = {2024-04-17 12:04:45 +0200},
+	doi = {10.1103/PhysRevMaterials.6.040301},
+	issue = {4},
+	journal = {Phys. Rev. Mater.},
+	month = {Apr},
+	numpages = {22},
+	pages = {040301},
+	publisher = {American Physical Society},
+	title = {Deep dive into machine learning density functional theory for materials science and chemistry},
+	url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.6.040301},
+	volume = {6},
+	year = {2022},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevMaterials.6.040301},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevMaterials.6.040301}}
+
+@article{CHKC22,
+	author = {Callow, T. J. and Hansen, S. B. and Kraisler, E. and Cangi, A.},
+	date-added = {2024-04-17 12:04:24 +0200},
+	date-modified = {2024-04-17 12:04:27 +0200},
+	doi = {10.1103/PhysRevResearch.4.023055},
+	issue = {2},
+	journal = {Phys. Rev. Res.},
+	month = {Apr},
+	numpages = {27},
+	pages = {023055},
+	publisher = {American Physical Society},
+	title = {First-principles derivation and properties of density-functional average-atom models},
+	url = {https://link.aps.org/doi/10.1103/PhysRevResearch.4.023055},
+	volume = {4},
+	year = {2022},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevResearch.4.023055},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevResearch.4.023055}}
+
+@article{DTMC22,
+	author = {Dornheim, Tobias and Tolias, Panagiotis and Moldabekov, Zhandos A. and Cangi, Attila and Vorberger, Jan},
+	date-added = {2024-04-17 12:04:04 +0200},
+	date-modified = {2024-04-17 12:04:06 +0200},
+	doi = {10.1063/5.0097768},
+	issn = {1089-7690},
+	journal = {The Journal of Chemical Physics},
+	month = jun,
+	number = {24},
+	publisher = {AIP Publishing},
+	title = {Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations},
+	url = {http://dx.doi.org/10.1063/5.0097768},
+	volume = {156},
+	year = {2022},
+	bdsk-url-1 = {http://dx.doi.org/10.1063/5.0097768}}
+
+@inproceedings{CKKC22,
+	author = {Callow, Timothy and Kotik, Daniel and Kraisler, Eli and Cangi, Attila},
+	booktitle = {Proceedings of the 21st Python in Science Conference},
+	collection = {SciPy},
+	date-added = {2024-04-17 12:03:39 +0200},
+	date-modified = {2024-04-17 12:03:43 +0200},
+	doi = {10.25080/majora-212e5952-006},
+	issn = {2575-9752},
+	publisher = {SciPy},
+	series = {SciPy},
+	title = {atoMEC: An open-source average-atom Python code},
+	url = {http://dx.doi.org/10.25080/majora-212e5952-006},
+	year = {2022},
+	bdsk-url-1 = {http://dx.doi.org/10.25080/majora-212e5952-006}}
+
+@article{SWBC22,
+	author = {Sch\"orner, Maximilian and Witte, Bastian B. L. and Baczewski, Andrew D. and Cangi, Attila and Redmer, Ronald},
+	date-added = {2024-04-17 12:03:17 +0200},
+	date-modified = {2024-04-17 12:03:21 +0200},
+	doi = {10.1103/PhysRevB.106.054304},
+	issue = {5},
+	journal = {Phys. Rev. B},
+	month = {Aug},
+	numpages = {12},
+	pages = {054304},
+	publisher = {American Physical Society},
+	title = {Ab initio study of shock-compressed copper},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.106.054304},
+	volume = {106},
+	year = {2022},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.106.054304},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.106.054304}}
+
+@article{FMSJ22,
+	author = {Fiedler, Lenz and Moldabekov, Zhandos A. and Shao, Xuecheng and Jiang, Kaili and Dornheim, Tobias and Pavanello, Michele and Cangi, Attila},
+	date-added = {2024-04-17 12:02:59 +0200},
+	date-modified = {2024-04-17 12:03:02 +0200},
+	doi = {10.1103/PhysRevResearch.4.043033},
+	issue = {4},
+	journal = {Phys. Rev. Res.},
+	month = {Oct},
+	numpages = {19},
+	pages = {043033},
+	publisher = {American Physical Society},
+	title = {Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory},
+	url = {https://link.aps.org/doi/10.1103/PhysRevResearch.4.043033},
+	volume = {4},
+	year = {2022},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevResearch.4.043033},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevResearch.4.043033}}
+
+@article{FHMP22,
+	author = {Fiedler, Lenz and Hoffmann, Nils and Mohammed, Parvez and Popoola, Gabriel A and Yovell, Tamar and Oles, Vladyslav and Austin Ellis, J and Rajamanickam, Sivasankaran and Cangi, Attila},
+	date-added = {2024-04-17 12:02:39 +0200},
+	date-modified = {2024-04-17 12:02:41 +0200},
+	doi = {10.1088/2632-2153/ac9956},
+	issn = {2632-2153},
+	journal = {Machine Learning: Science and Technology},
+	month = oct,
+	number = {4},
+	pages = {045008},
+	publisher = {IOP Publishing},
+	title = {Training-free hyperparameter optimization of neural networks for electronic structures in matter},
+	url = {http://dx.doi.org/10.1088/2632-2153/ac9956},
+	volume = {3},
+	year = {2022},
+	bdsk-url-1 = {http://dx.doi.org/10.1088/2632-2153/ac9956}}
+
+@article{SSHC22,
+	abstract = {We demonstrate the utility of physics-informed neural networks (PINNs) as solvers for the non-relativistic, time-dependent Schr{\"o}dinger equation. We study the performance and generalisability of PINN solvers on the time evolution of a quantum harmonic oscillator across varying system parameters, domains, and energy states.},
+	author = {Karan Shah and Patrick Stiller and Nico Hoffmann and Attila Cangi},
+	date-added = {2024-04-17 12:02:24 +0200},
+	date-modified = {2024-04-17 12:02:24 +0200},
+	eprint = {2210.12522},
+	month = {10},
+	title = {Physics-Informed Neural Networks as Solvers for the Time-Dependent Schr{\"o}dinger Equation},
+	url = {https://arxiv.org/pdf/2210.12522.pdf},
+	year = {2022},
+	bdsk-url-1 = {https://arxiv.org/pdf/2210.12522.pdf},
+	bdsk-url-2 = {https://arxiv.org/abs/2210.12522}}
+
+@article{CKC23,
+	author = {Callow, Timothy J. and Kraisler, Eli and Cangi, Attila},
+	date-added = {2024-04-17 12:02:08 +0200},
+	date-modified = {2024-04-17 12:02:11 +0200},
+	doi = {10.1103/PhysRevResearch.5.013049},
+	issue = {1},
+	journal = {Phys. Rev. Res.},
+	month = {Jan},
+	numpages = {14},
+	pages = {013049},
+	publisher = {American Physical Society},
+	title = {Improved calculations of mean ionization states with an average-atom model},
+	url = {https://link.aps.org/doi/10.1103/PhysRevResearch.5.013049},
+	volume = {5},
+	year = {2023},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevResearch.5.013049},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevResearch.5.013049}}
+
+@article{KSBB23,
+	abstract = {Deep Convolutional Neural Network (CNN)-based image classification systems are often susceptible to noise interruption, i.e., minor image noise may significantly impact the outcome. On the contrary, classical Spiking Neural Network (SNN) is known for handling noisy data due to the stochastic and temporal behaviour of the spiking neuron signals. However, it is not always feasible to train the weights of the classical SNN due to stochastic and non-differentiable spiking signals. Recent applications of quantum machine learning to stochastic modelling have predicted that quantum computing would prove to be a significant advantage, hence catapulting the study of quantum and neuromorphic computing to a new level of development. Motivated by these observations, this paper introduces a shallow hybrid classical--quantum spiking feedforward neural network referred to as Spiking Quantum Neural Network (SQNN) for dealing with a robust image classification task in the presence of noise and adversarial attacks. The proposed SQNN offers the inherent capabilities of processing unforeseen noisy test images due to its spatial and temporal information. An efficient variational quantum circuit training with the help of a standard back-propagation algorithm obviates the classical Spiking Time-Dependent Plasticity (STDP) and Spike-Prop algorithms, which are often found inefficient in training the feedforward SNN. The proposed SQNN is extensively tested and benchmarked on the PennyLane Quantum Simulator. Experimental results show that the proposed SQNN model supersedes the feedforward SNN (SFNN), Random Quantum Neural Networks (RQNN), AlexNet and ResNet-18 on unseen test images with added noise from the FashionMNIST, MNIST, KMNIST, CIFAR10, and ImageNet datasets.},
+	author = {Debanjan Konar and Aditya Das Sarma and Soham Bhandary and Siddhartha Bhattacharyya and Attila Cangi and Vaneet Aggarwal},
+	date-added = {2024-04-17 12:01:47 +0200},
+	date-modified = {2024-04-17 12:01:50 +0200},
+	doi = {https://doi.org/10.1016/j.asoc.2023.110099},
+	issn = {1568-4946},
+	journal = {Applied Soft Computing},
+	keywords = {Quantum machine learning, Spiking neural networks, Variational quantum circuit, Hybrid classical--quantum neural networks},
+	pages = {110099},
+	title = {A shallow hybrid classical--quantum spiking feedforward neural network for noise-robust image classification},
+	url = {https://www.sciencedirect.com/science/article/pii/S1568494623001175},
+	volume = {136},
+	year = {2023},
+	bdsk-url-1 = {https://www.sciencedirect.com/science/article/pii/S1568494623001175},
+	bdsk-url-2 = {https://doi.org/10.1016/j.asoc.2023.110099}}
+
+@article{MLVC23b,
+	author = {Moldabekov, Zhandos A. and Lokamani, Mani and Vorberger, Jan and Cangi, Attila and Dornheim, Tobias},
+	date-added = {2024-04-17 12:01:05 +0200},
+	date-modified = {2024-04-17 12:01:28 +0200},
+	doi = {10.1063/5.0135729},
+	issn = {1089-7690},
+	journal = {The Journal of Chemical Physics},
+	month = mar,
+	number = {9},
+	publisher = {AIP Publishing},
+	title = {Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons},
+	url = {http://dx.doi.org/10.1063/5.0135729},
+	volume = {158},
+	year = {2023},
+	bdsk-url-1 = {http://dx.doi.org/10.1063/5.0135729}}
+
+@article{MLVC23,
+	author = {Moldabekov, Zhandos A. and Lokamani, Mani and Vorberger, Jan and Cangi, Attila and Dornheim, Tobias},
+	date-added = {2024-04-17 11:59:32 +0200},
+	date-modified = {2024-04-17 11:59:38 +0200},
+	doi = {10.1021/acs.jpclett.2c03670},
+	issn = {1948-7185},
+	journal = {The Journal of Physical Chemistry Letters},
+	month = feb,
+	number = {5},
+	pages = {1326--1333},
+	publisher = {American Chemical Society (ACS)},
+	title = {Non-empirical Mixing Coefficient for Hybrid XC Functionals from Analysis of the XC Kernel},
+	url = {http://dx.doi.org/10.1021/acs.jpclett.2c03670},
+	volume = {14},
+	year = {2023},
+	bdsk-url-1 = {http://dx.doi.org/10.1021/acs.jpclett.2c03670}}
+
+@article{RLBV23b,
+	author = {Ramakrishna, Kushal and Lokamani, Mani and Baczewski, Andrew and Vorberger, Jan and Cangi, Attila},
+	date-added = {2024-04-17 11:59:18 +0200},
+	date-modified = {2024-04-17 12:00:09 +0200},
+	doi = {10.1103/PhysRevB.107.115131},
+	issue = {11},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {7},
+	pages = {115131},
+	publisher = {American Physical Society},
+	title = {Electrical conductivity of iron in Earth's core from microscopic Ohm's law},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.107.115131},
+	volume = {107},
+	year = {2023},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.107.115131},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.107.115131}}
+
+@article{DMRT23,
+	author = {Dornheim, Tobias and Moldabekov, Zhandos A. and Ramakrishna, Kushal and Tolias, Panagiotis and Baczewski, Andrew D. and Kraus, Dominik and Preston, Thomas R. and Chapman, David A. and B{\"o}hme, Maximilian P. and D{\"o}ppner, Tilo and Graziani, Frank and Bonitz, Michael and Cangi, Attila and Vorberger, Jan},
+	date-added = {2024-04-17 11:58:54 +0200},
+	date-modified = {2024-04-17 11:58:57 +0200},
+	doi = {10.1063/5.0138955},
+	issn = {1089-7674},
+	journal = {Physics of Plasmas},
+	month = mar,
+	number = {3},
+	publisher = {AIP Publishing},
+	title = {Electronic density response of warm dense matter},
+	url = {http://dx.doi.org/10.1063/5.0138955},
+	volume = {30},
+	year = {2023},
+	bdsk-url-1 = {http://dx.doi.org/10.1063/5.0138955}}
+
+@article{DBCK23,
+	author = {Dornheim, Tobias and B{\"o}hme, Maximilian P. and Chapman, David A. and Kraus, Dominik and Preston, Thomas R. and Moldabekov, Zhandos A. and Schl{\"u}nzen, Niclas and Cangi, Attila and D{\"o}ppner, Tilo and Vorberger, Jan},
+	date-added = {2024-04-17 11:58:15 +0200},
+	date-modified = {2024-04-17 11:58:20 +0200},
+	doi = {10.1063/5.0139560},
+	issn = {1089-7674},
+	journal = {Physics of Plasmas},
+	month = apr,
+	number = {4},
+	publisher = {AIP Publishing},
+	title = {Imaginary-time correlation function thermometry: A new, high-accuracy and model-free temperature analysis technique for x-ray Thomson scattering data},
+	url = {http://dx.doi.org/10.1063/5.0139560},
+	volume = {30},
+	year = {2023},
+	bdsk-url-1 = {http://dx.doi.org/10.1063/5.0139560}}
+
+@article{HKOC23,
+	author = {Hentschel, Thomas W. and Kononov, Alina and Olmstead, Alexandra and Cangi, Attila and Baczewski, Andrew D. and Hansen, Stephanie B.},
+	date-added = {2024-04-17 11:57:44 +0200},
+	date-modified = {2024-04-17 11:57:48 +0200},
+	doi = {10.1063/5.0143738},
+	issn = {1089-7674},
+	journal = {Physics of Plasmas},
+	month = jun,
+	number = {6},
+	publisher = {AIP Publishing},
+	title = {Improving dynamic collision frequencies: Impacts on dynamic structure factors and stopping powers in warm dense matter},
+	url = {http://dx.doi.org/10.1063/5.0143738},
+	volume = {30},
+	year = {2023},
+	bdsk-url-1 = {http://dx.doi.org/10.1063/5.0143738}}
+
+@article{FMSV23,
+	author = {Fiedler, Lenz and Modine, Normand A. and Schmerler, Steve and Vogel, Dayton J. and Popoola, Gabriel A. and Thompson, Aidan P. and Rajamanickam, Sivasankaran and Cangi, Attila},
+	date-added = {2024-04-17 11:57:19 +0200},
+	date-modified = {2024-04-17 11:57:22 +0200},
+	doi = {10.1038/s41524-023-01070-z},
+	issn = {2057-3960},
+	journal = {npj Computational Materials},
+	month = jun,
+	number = {1},
+	publisher = {Springer Science and Business Media LLC},
+	title = {Predicting electronic structures at any length scale with machine learning},
+	url = {http://dx.doi.org/10.1038/s41524-023-01070-z},
+	volume = {9},
+	year = {2023},
+	bdsk-url-1 = {http://dx.doi.org/10.1038/s41524-023-01070-z}}
+
+@article{KTRL23,
+	author = {Kumar, Sandeep and Tahmasbi, Hossein and Ramakrishna, Kushal and Lokamani, Mani and Nikolov, Svetoslav and Tranchida, Julien and Wood, Mitchell A. and Cangi, Attila},
+	date-added = {2024-04-17 11:56:57 +0200},
+	date-modified = {2024-04-17 11:57:00 +0200},
+	doi = {10.1103/PhysRevResearch.5.033162},
+	issue = {3},
+	journal = {Phys. Rev. Res.},
+	month = {Sep},
+	numpages = {11},
+	pages = {033162},
+	publisher = {American Physical Society},
+	title = {Transferable interatomic potential for aluminum from ambient conditions to warm dense matter},
+	url = {https://link.aps.org/doi/10.1103/PhysRevResearch.5.033162},
+	volume = {5},
+	year = {2023},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevResearch.5.033162},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevResearch.5.033162}}
+
+@article{RLBV23,
+	author = {Ramakrishna, K and Lokamani, M and Baczewski, A and Vorberger, J and Cangi, A},
+	date-added = {2024-04-17 11:56:14 +0200},
+	date-modified = {2024-04-17 11:56:17 +0200},
+	doi = {10.1088/2516-1075/acfd75},
+	issn = {2516-1075},
+	journal = {Electronic Structure},
+	month = oct,
+	number = {4},
+	pages = {045002},
+	publisher = {IOP Publishing},
+	title = {Impact of electronic correlations on high-pressure iron: insights from time-dependent density functional theory},
+	url = {http://dx.doi.org/10.1088/2516-1075/acfd75},
+	volume = {5},
+	year = {2023},
+	bdsk-url-1 = {http://dx.doi.org/10.1088/2516-1075/acfd75}}
+
+@article{SLRC23,
+	author = {S. B., Sruthil Lal and Lokamani and Ramakrishna, Kushal and Cangi, Attila and Murali, D. and Posselt, Matthias and Devi, Assa Aravindh Sasikala and Sharan, Alok},
+	date-added = {2024-04-17 11:55:49 +0200},
+	date-modified = {2024-04-17 11:56:00 +0200},
+	doi = {10.1103/PhysRevB.108.195149},
+	issue = {19},
+	journal = {Phys. Rev. B},
+	month = {Nov},
+	numpages = {11},
+	pages = {195149},
+	publisher = {American Physical Society},
+	title = {Ab initio insights on the ultrafast strong-field dynamics of anatase ${\mathrm{TiO}}_{2}$},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.108.195149},
+	volume = {108},
+	year = {2023},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.108.195149},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.108.195149}}
+
+@article{CNKC23,
+	author = {Callow, Timothy J and Nikl, Jan and Kraisler, Eli and Cangi, Attila},
+	date-added = {2024-04-17 11:55:13 +0200},
+	date-modified = {2024-04-17 11:55:18 +0200},
+	doi = {10.1088/2632-2153/ad13b9},
+	issn = {2632-2153},
+	journal = {Machine Learning: Science and Technology},
+	month = dec,
+	number = {4},
+	pages = {045055},
+	publisher = {IOP Publishing},
+	title = {Physics-enhanced neural networks for equation-of-state calculations},
+	url = {http://dx.doi.org/10.1088/2632-2153/ad13b9},
+	volume = {4},
+	year = {2023},
+	bdsk-url-1 = {http://dx.doi.org/10.1088/2632-2153/ad13b9}}
+
+@article{TRLC24,
+	author = {Tahmasbi, Hossein and Ramakrishna, Kushal and Lokamani, Mani and Cangi, Attila},
+	date-added = {2024-04-17 11:54:27 +0200},
+	date-modified = {2024-04-17 11:54:47 +0200},
+	doi = {10.1103/PhysRevMaterials.8.033803},
+	issue = {3},
+	journal = {Phys. Rev. Mater.},
+	month = {Mar},
+	numpages = {10},
+	pages = {033803},
+	publisher = {American Physical Society},
+	title = {Machine learning-driven structure prediction for iron hydrides},
+	url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.8.033803},
+	volume = {8},
+	year = {2024},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevMaterials.8.033803},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevMaterials.8.033803}}
+
+@article{KGBS22,
+	abstract = {Classical Random Neural Networks (RNNs) have demonstrated effective applications in decision making, signal processing, and image recognition tasks. However, their implementation has been limited to deterministic digital systems that output probability distributions in lieu of stochastic behaviors of random spiking signals. We introduce the novel class of supervised Random Quantum Neural Networks (RQNNs) with a robust training strategy to better exploit the random nature of the spiking RNN. The proposed RQNN employs hybrid classical-quantum algorithms with superposition state and amplitude encoding features, inspired by quantum information theory and the brain's spatial-temporal stochastic spiking property of neuron information encoding. We have extensively validated our proposed RQNN model, relying on hybrid classical-quantum algorithms via the PennyLane Quantum simulator with a limited number of \emph{qubits}. Experiments on the MNIST, FashionMNIST, and KMNIST datasets demonstrate that the proposed RQNN model achieves an average classification accuracy of $94.9\%$. Additionally, the experimental findings illustrate the proposed RQNN's effectiveness and resilience in noisy settings, with enhanced image classification accuracy when compared to the classical counterparts (RNNs), classical Spiking Neural Networks (SNNs), and the classical convolutional neural network (AlexNet). Furthermore, the RQNN can deal with noise, which is useful for various applications, including computer vision in NISQ devices. The PyTorch code (this https URL) is made available on GitHub to reproduce the results reported in this manuscript.},
+	author = {Debanjan Konar and Erol Gelenbe and Soham Bhandary and Aditya Das Sarma and Attila Cangi},
+	date-added = {2024-04-17 11:54:08 +0200},
+	date-modified = {2024-04-17 11:54:08 +0200},
+	eprint = {2203.01764},
+	month = {03},
+	title = {Random Quantum Neural Networks (RQNN) for Noisy Image Recognition},
+	url = {https://arxiv.org/pdf/2203.01764.pdf},
+	year = {2022},
+	bdsk-url-1 = {https://arxiv.org/pdf/2203.01764.pdf},
+	bdsk-url-2 = {https://arxiv.org/abs/2203.01764}}
+
+@article{VKSK22,
+	abstract = {Recent studies have been spurred on by the promise of advanced quantum computing technology, which has led to the development of quantum computer simulations on classical hardware. Grover's quantum search algorithm is one of the well-known applications of quantum computing, enabling quantum computers to perform a database search (unsorted array) and quadratically outperform their classical counterparts in terms of time. Given the restricted access to database search for an oracle model (black-box), researchers have demonstrated various implementations of Grover's circuit for two to four qubits on various platforms. However, larger search spaces have not yet been explored. In this paper, a scalable Quantum Grover Search algorithm is introduced and implemented using 5-qubit and 6-qubit quantum circuits, along with a design pattern for ease of building an Oracle for a higher order of qubits. For our implementation, the probability of finding the correct entity is in the high nineties. The accuracy of the proposed 5-qubit and 6-qubit circuits is benchmarked against the state-of-the-art implementations for 3-qubit and 4-qubit. Furthermore, the reusability of the proposed quantum circuits using subroutines is also illustrated by the opportunity for large-scale implementation of quantum algorithms in the future.},
+	author = {Dinesh Reddy Vemula and Debanjan Konar and Sudeep Satheesan and Sri Mounica Kalidasu and Attila Cangi},
+	date-added = {2024-04-17 11:53:54 +0200},
+	date-modified = {2024-04-17 11:53:54 +0200},
+	eprint = {2205.00117},
+	month = {05},
+	title = {A Scalable 5,6-Qubit Grover's Quantum Search Algorithm},
+	url = {https://arxiv.org/pdf/2205.00117.pdf},
+	year = {2022},
+	bdsk-url-1 = {https://arxiv.org/pdf/2205.00117.pdf},
+	bdsk-url-2 = {https://arxiv.org/abs/2205.00117}}
+
+@article{NRRL23,
+	abstract = {Dynamic compression of iron to Earth-core conditions is one of the few ways to gather important elastic and transport properties needed to uncover key mechanisms surrounding the geodynamo effect. Herein a new machine-learned ab-initio derived molecular-spin dynamics (MSD) methodology with explicit treatment for longitudinal spin-fluctuations is utilized to probe the dynamic phase-diagram of iron. This framework uniquely enables an accurate resolution of the phase-transition kinetics and Earth-core elastic properties, as highlighted by compressional wave velocity and adiabatic bulk moduli measurements. In addition, a unique coupling of MSD with time-dependent density functional theory enables gauging electronic transport properties, critically important for resolving geodynamo dynamics.},
+	author = {Svetoslav Nikolov and Kushal Ramakrishna and Andrew Rohskopf and Mani Lokamani and Julien Tranchida and John Carpenter and Attila Cangi and Mitchell A. Wood},
+	date-added = {2024-04-17 11:53:40 +0200},
+	date-modified = {2024-04-17 11:53:40 +0200},
+	eprint = {2311.08737},
+	month = {11},
+	title = {Probing Iron in Earth's Core With Molecular-Spin Dynamics},
+	url = {https://arxiv.org/pdf/2311.08737.pdf},
+	year = {2023},
+	bdsk-url-1 = {https://arxiv.org/pdf/2311.08737.pdf},
+	bdsk-url-2 = {https://arxiv.org/abs/2311.08737}}
+
+@article{GMHA24,
+	abstract = {Using a novel ultrahigh resolution ($\Delta E \sim 0.1\,$eV) setup to measure electronic features in x-ray Thomson scattering (XRTS) experiments at the European XFEL in Germany, we have studied the collective plasmon excitation in aluminium at ambient conditions, which we can measure very accurately even at low momentum transfers. As a result, we can resolve previously reported discrepancies between ab initio time-dependent density functional theory simulations and experimental observations. The demonstrated capability for high-resolution XRTS measurements will be a game changer for the diagnosis of experiments with matter under extreme densities, temperatures, and pressures, and unlock the full potential of state-of-the-art x-ray free electron laser (XFEL) facilities to study planetary interior conditions, to understand inertial confinement fusion applications, and for material science and discovery.},
+	author = {Thomas Gawne and Zhandos A. Moldabekov and Oliver S. Humphries and Karen Appel and Carsten B{\"a}htz and Victorien Bouffetier and Erik Brambrink and Attila Cangi and Sebastian G{\"o}de and Zuzana Kon{\^o}pkov{\'a} and Mikako Makita and Mikhail Mishchenko and Motoaki Nakatsutsumi and Kushal Ramakrishna and Lisa Randolph and Sebastian Schwalbe and Jan Vorberger and Lennart Wollenweber and Ulf Zastrau and Tobias Dornheim and Thomas R. Preston},
+	date-added = {2024-04-17 11:53:25 +0200},
+	date-modified = {2024-04-17 11:53:25 +0200},
+	eprint = {2403.02776},
+	month = {03},
+	title = {Ultrahigh Resolution X-ray Thomson Scattering Measurements of Electronic Structures},
+	url = {https://arxiv.org/pdf/2403.02776.pdf},
+	year = {2024},
+	bdsk-url-1 = {https://arxiv.org/pdf/2403.02776.pdf},
+	bdsk-url-2 = {https://arxiv.org/abs/2403.02776}}
+
+@article{FMMC23,
+	author = {Fiedler, Lenz and Modine, Normand A. and Miller, Kyle D. and Cangi, Attila},
+	date-added = {2024-04-17 11:39:49 +0200},
+	date-modified = {2024-04-17 11:39:53 +0200},
+	doi = {10.1103/PhysRevB.108.125146},
+	issue = {12},
+	journal = {Phys. Rev. B},
+	month = {Sep},
+	numpages = {16},
+	pages = {125146},
+	publisher = {American Physical Society},
+	title = {Machine learning the electronic structure of matter across temperatures},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.108.125146},
+	volume = {108},
+	year = {2023},
+	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.108.125146},
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.108.125146}}
+
+@article{MSCP24,
+	author = {Martinetto, Vincent and Shah, Karan and Cangi, Attila and Pribram-Jones, Aurora},
+	date-added = {2024-04-17 11:39:00 +0200},
+	date-modified = {2024-04-17 11:39:55 +0200},
+	doi = {10.1088/2632-2153/ad3159},
+	issn = {2632-2153},
+	journal = {Machine Learning: Science and Technology},
+	month = mar,
+	number = {1},
+	pages = {015050},
+	publisher = {IOP Publishing},
+	title = {Inverting the Kohn--Sham equations with physics-informed machine learning},
+	url = {http://dx.doi.org/10.1088/2632-2153/ad3159},
+	volume = {5},
+	year = {2024},
+	bdsk-url-1 = {http://dx.doi.org/10.1088/2632-2153/ad3159}}
diff --git a/config/_default/params.yaml b/config/_default/params.yaml
index b402087..b0102cc 100644
--- a/config/_default/params.yaml
+++ b/config/_default/params.yaml
@@ -115,4 +115,4 @@ extensions:
 
 publications:
   date_format: January 2006
-  citation_style: mla
+  citation_style: natbib
diff --git a/content/publication/journal-article/cite.bib b/content/publication/journal-article/cite.bib
deleted file mode 100644
index a7da7ac..0000000
--- a/content/publication/journal-article/cite.bib
+++ /dev/null
@@ -1,8 +0,0 @@
-@article{example2,
-  title = {An example journal article},
-  author={Bighetti, Nelson and Ford, Robert},
-  journal = {Journal of Source Themes},
-  year    = 2015,
-  volume  = 1,
-  number  = 1
-}
diff --git a/content/publication/journal-article/featured.jpg b/content/publication/journal-article/featured.jpg
deleted file mode 100644
index 15272c0..0000000
Binary files a/content/publication/journal-article/featured.jpg and /dev/null differ
diff --git a/content/publication/journal-article/index.md b/content/publication/journal-article/index.md
deleted file mode 100644
index 079228a..0000000
--- a/content/publication/journal-article/index.md
+++ /dev/null
@@ -1,75 +0,0 @@
----
-title: "An example journal article"
-authors:
-- admin
-- Robert Ford
-author_notes:
-- "Equal contribution"
-- "Equal contribution"
-date: "2015-09-01T00:00:00Z"
-doi: ""
-
-# Schedule page publish date (NOT publication's date).
-publishDate: "2017-01-01T00:00:00Z"
-
-# Publication type.
-# Accepts a single type but formatted as a YAML list (for Hugo requirements).
-# Enter a publication type from the CSL standard.
-publication_types: ["article-journal"]
-
-# Publication name and optional abbreviated publication name.
-publication: "*Journal of Source Themes, 1*(1)"
-publication_short: ""
-
-abstract: Lorem ipsum dolor sit amet, consectetur adipiscing elit. Duis posuere tellus ac convallis placerat. Proin tincidunt magna sed ex sollicitudin condimentum. Sed ac faucibus dolor, scelerisque sollicitudin nisi. Cras purus urna, suscipit quis sapien eu, pulvinar tempor diam. Quisque risus orci, mollis id ante sit amet, gravida egestas nisl. Sed ac tempus magna. Proin in dui enim. Donec condimentum, sem id dapibus fringilla, tellus enim condimentum arcu, nec volutpat est felis vel metus. Vestibulum sit amet erat at nulla eleifend gravida.
-
-# Summary. An optional shortened abstract.
-summary: Lorem ipsum dolor sit amet, consectetur adipiscing elit. Duis posuere tellus ac convallis placerat. Proin tincidunt magna sed ex sollicitudin condimentum.
-
-tags:
-- Source Themes
-featured: false
-
-# links:
-# - name: ""
-#   url: ""
-url_pdf: http://arxiv.org/pdf/1512.04133v1
-url_code: 'https://github.com/HugoBlox/hugo-blox-builder'
-url_dataset: ''
-url_poster: ''
-url_project: ''
-url_slides: ''
-url_source: ''
-url_video: ''
-
-# Featured image
-# To use, add an image named `featured.jpg/png` to your page's folder. 
-image:
-  caption: 'Image credit: [**Unsplash**](https://unsplash.com/photos/jdD8gXaTZsc)'
-  focal_point: ""
-  preview_only: false
-
-# Associated Projects (optional).
-#   Associate this publication with one or more of your projects.
-#   Simply enter your project's folder or file name without extension.
-#   E.g. `internal-project` references `content/project/internal-project/index.md`.
-#   Otherwise, set `projects: []`.
-projects: []
-
-# Slides (optional).
-#   Associate this publication with Markdown slides.
-#   Simply enter your slide deck's filename without extension.
-#   E.g. `slides: "example"` references `content/slides/example/index.md`.
-#   Otherwise, set `slides: ""`.
-slides: example
----
-
-{{% callout note %}}
-Click the *Cite* button above to demo the feature to enable visitors to import publication metadata into their reference management software.
-{{% /callout %}}
-
-{{% callout note %}}
-Create your slides in Markdown - click the *Slides* button to check out the example.
-{{% /callout %}}
-
-Add the publication's **full text** or **supplementary notes** here. You can use rich formatting such as including [code, math, and images](https://docs.hugoblox.com/content/writing-markdown-latex/).
diff --git a/content/publication/preprint/featured.jpg b/content/publication/preprint/featured.jpg
deleted file mode 100644
index 8fdeeee..0000000
Binary files a/content/publication/preprint/featured.jpg and /dev/null differ
diff --git a/content/publication/preprint/index.md b/content/publication/preprint/index.md
deleted file mode 100644
index ccb94da..0000000
--- a/content/publication/preprint/index.md
+++ /dev/null
@@ -1,68 +0,0 @@
----
-title: "An example preprint / working paper"
-authors:
-- admin
-date: "2019-04-07T00:00:00Z"
-doi: ""
-
-# Schedule page publish date (NOT publication's date).
-publishDate: "2017-01-01T00:00:00Z"
-
-# Publication type.
-# Accepts a single type but formatted as a YAML list (for Hugo requirements).
-# Enter a publication type from the CSL standard.
-publication_types: ["article"]
-
-# Publication name and optional abbreviated publication name.
-publication: ""
-publication_short: ""
-
-abstract: Lorem ipsum dolor sit amet, consectetur adipiscing elit. Duis posuere tellus ac convallis placerat. Proin tincidunt magna sed ex sollicitudin condimentum. Sed ac faucibus dolor, scelerisque sollicitudin nisi. Cras purus urna, suscipit quis sapien eu, pulvinar tempor diam. Quisque risus orci, mollis id ante sit amet, gravida egestas nisl. Sed ac tempus magna. Proin in dui enim. Donec condimentum, sem id dapibus fringilla, tellus enim condimentum arcu, nec volutpat est felis vel metus. Vestibulum sit amet erat at nulla eleifend gravida.
-
-# Summary. An optional shortened abstract.
-summary: Lorem ipsum dolor sit amet, consectetur adipiscing elit. Duis posuere tellus ac convallis placerat. Proin tincidunt magna sed ex sollicitudin condimentum.
-
-tags:
-- Source Themes
-featured: false
-
-links:
-- name: Custom Link
-  url: http://example.org
-url_pdf: http://arxiv.org/pdf/1512.04133v1
-url_code: 'https://github.com/HugoBlox/hugo-blox-builder'
-url_dataset: '#'
-url_poster: '#'
-url_project: ''
-url_slides: ''
-url_source: '#'
-url_video: '#'
-
-# Featured image
-# To use, add an image named `featured.jpg/png` to your page's folder. 
-image:
-  caption: 'Image credit: [**Unsplash**](https://unsplash.com/photos/s9CC2SKySJM)'
-  focal_point: ""
-  preview_only: false
-
-# Associated Projects (optional).
-#   Associate this publication with one or more of your projects.
-#   Simply enter your project's folder or file name without extension.
-#   E.g. `internal-project` references `content/project/internal-project/index.md`.
-#   Otherwise, set `projects: []`.
-projects:
-- internal-project
-
-# Slides (optional).
-#   Associate this publication with Markdown slides.
-#   Simply enter your slide deck's filename without extension.
-#   E.g. `slides: "example"` references `content/slides/example/index.md`.
-#   Otherwise, set `slides: ""`.
-slides: example
----
-
-{{% callout note %}}
-Create your slides in Markdown - click the *Slides* button to check out the example.
-{{% /callout %}}
-
-Add the publication's **full text** or **supplementary notes** here. You can use rich formatting such as including [code, math, and images](https://docs.hugoblox.com/content/writing-markdown-latex/).
diff --git a/publications.bib b/publications.bib
index 4984414..ec90814 100644
--- a/publications.bib
+++ b/publications.bib
@@ -8,6 +8,20 @@
 
 
 
+@misc{CRBC24,
+	author = {Cangi, Attila and Rajamanickam, Sivasankaran and Brzoza, Bartosz and Callow, Timothy J. and Ellis, J. Austin and Faruk, Omar and Fiedler, Lenz and Fox, James S. and Hoffmann, Nils and Miller, Kyle D. and Kotik, Daniel and Kulkarni, Somashekar and Modine, Normand A. and Mohammed, Parvez and Oles, Vladyslav and Popoola, Gabriel A. and P{\"o}schel, Franz and Romero, Josh and Schmerler, Steve and Stephens, J. Adam and Tahmasbi, Hossein and Thompson, Aidan P. and Verma, Sneha and Vogel, D. Jon},
+	copyright = {BSD 3-Clause "New" or "Revised" License},
+	date-added = {2024-04-17 12:24:02 +0200},
+	date-modified = {2024-04-17 12:24:06 +0200},
+	doi = {10.5281/ZENODO.10604175},
+	keywords = {machine-learning, dft},
+	publisher = {Zenodo},
+	title = {MALA},
+	url = {https://zenodo.org/doi/10.5281/zenodo.10604175},
+	year = {2024},
+	bdsk-url-1 = {https://zenodo.org/doi/10.5281/zenodo.10604175},
+	bdsk-url-2 = {https://doi.org/10.5281/ZENODO.10604175}}
+
 @misc{CKTR23,
 	author = {Callow, Timothy and Kotik, Daniel and Tsvetoslavova Stankulova, Ekaterina and Rahat, Nathan and Kraisler, Eli and Cangi, Attila},
 	copyright = {BSD 3-Clause "New" or "Revised" License},