Linda Hung
Linda Hung
Toyota Research Institute
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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
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
Network analysis of synthesizable materials discovery
M Aykol, VI Hegde, L Hung, S Suram, P Herring, C Wolverton, ...
Nature communications 10 (1), 2018, 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
Comput. Phys. Commun. 190, 228-230, 2015
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Preconditioners and electron density optimization in orbital-free density functional theory
L Hung, C Huang, EA Carter
Communications in Computational Physics 12 (1), 135-161, 2012
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