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 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
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
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
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
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
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
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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