| Accurate simulations of metals at the mesoscale: Explicit treatment of 1 million atoms with quantum mechanics L Hung, EA Carter Chemical Physics Letters 475 (4-6), 163-170, 2009 | 172 | 2009 |
| Random forest machine learning models for interpretable X-ray absorption near-edge structure spectrum-property relationships SB Torrisi, MR Carbone, BA Rohr, JH Montoya, Y Ha, J Yano, SK Suram, ... npj Computational Materials 6 (1), 109, 2020 | 164 | 2020 |
| Network analysis of synthesizable materials discovery M Aykol, VI Hegde, L Hung, S Suram, P Herring, C Wolverton, ... Nature communications 10 (1), 2018, 2019 | 127 | 2019 |
| Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations M Chen, J Xia, C Huang, JM Dieterich, L Hung, I Shin, EA Carter Computer Physics Communications 190, 228-230, 2015 | 89 | 2015 |
| The case for data science in experimental chemistry: examples and recommendations J Yano, KJ Gaffney, J Gregoire, L Hung, A Ourmazd, J Schrier, JA Sethian, ... Nature Reviews Chemistry 6 (5), 357-370, 2022 | 87 | 2022 |
| Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations L Hung, C Huang, I Shin, GS Ho, VL Lignères, EA Carter Computer Physics Communications 181 (12), 2208-2209, 2010 | 79 | 2010 |
| Excitation spectra of aromatic molecules within a real-space -BSE formalism: Role of self-consistency and vertex corrections L Hung, FH da Jornada, J Souto-Casares, JR Chelikowsky, SG Louie, ... Physical Review B 94 (8), 085125, 2016 | 78 | 2016 |
| Mechanical control of crystal symmetry and superconductivity in Weyl semimetal C Heikes, IL Liu, T Metz, C Eckberg, P Neves, Y Wu, L Hung, P Piccoli, ... Physical review materials 2 (7), 074202, 2018 | 68 | 2018 |
| BEEP: A python library for battery evaluation and early prediction P Herring, CB Gopal, M Aykol, JH Montoya, A Anapolsky, PM Attia, ... SoftwareX 11, 100506, 2020 | 60 | 2020 |
| The melting point of lithium: an orbital-free first-principles molecular dynamics study M Chen, L Hung, C Huang, J Xia, EA Carter Molecular Physics 111 (22-23), 3448-3456, 2013 | 59 | 2013 |
| Quantum simulation of materials at micron scales and beyond Q Peng, X Zhang, L Hung, EA Carter, G Lu Physical Review B—Condensed Matter and Materials Physics 78 (5), 054118, 2008 | 58 | 2008 |
| Toward autonomous materials research: Recent progress and future challenges JH Montoya, M Aykol, A Anapolsky, CB Gopal, PK Herring, ... Applied Physics Reviews 9 (1), 2022 | 49 | 2022 |
| Benchmarking the GW Approximation and Bethe–Salpeter Equation for Groups IB and IIB Atoms and Monoxides L Hung, F Bruneval, K Baishya, S Ogut Journal of chemical theory and computation 13 (5), 2135-2146, 2017 | 48 | 2017 |
| Orbital-free density functional theory simulations of dislocations in aluminum I Shin, A Ramasubramaniam, C Huang, L Hung, EA Carter Philosophical Magazine 89 (34-36), 3195-3213, 2009 | 48 | 2009 |
| Effects of substrate defect density and annealing temperature on the nature of Pt clusters vapor deposited on the basal plane of highly oriented pyrolytic graphite AR Howells, L Hung, GS Chottiner, DA Scherson Solid State Ionics 150 (1-2), 53-62, 2002 | 46 | 2002 |
| Ductile processes at aluminium crack tips: Comparison of orbital-free density functional theory with classical potential predictions L Hung, EA Carter Modelling and Simulation in Materials Science and Engineering 19 (4), 045002, 2011 | 33 | 2011 |
| Orbital-free DFT simulations of elastic response and tensile yielding of ultrathin [111] Al nanowires L Hung, EA Carter The Journal of Physical Chemistry C 115 (14), 6269-6276, 2011 | 32 | 2011 |
| The materials research platform: defining the requirements from user stories M Aykol, JS Hummelshøj, A Anapolsky, K Aoyagi, MZ Bazant, T Bligaard, ... Matter 1 (6), 1433-1438, 2019 | 26 | 2019 |
| Autonomous laboratories for accelerated materials discovery: a community survey and practical insights L Hung, JA Yager, D Monteverde, D Baiocchi, HK Kwon, S Sun, S Suram Digital Discovery 3 (7), 1273-1279, 2024 | 25 | 2024 |
| Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab … C Guedj, L Hung, A Zobelli, P Blaise, F Sottile, V Olevano Applied Physics Letters 105 (22), 2014 | 25 | 2014 |
Santosh K. SuramToyota Research InstituteVerified email at tri.global
