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Gus L. W. Hart
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The high-throughput highway to computational materials design
S Curtarolo, GLW Hart, MB Nardelli, N Mingo, S Sanvito, O Levy
Nature materials 12 (3), 191-201, 2013
21162013
AFLOW: An automatic framework for high-throughput materials discovery
S Curtarolo, W Setyawan, GLW Hart, M Jahnatek, RV Chepulskii, ...
Computational Materials Science 58, 218-226, 2012
13972012
AFLOWLIB. ORG: A distributed materials properties repository from high-throughput ab initio calculations
S Curtarolo, W Setyawan, S Wang, J Xue, K Yang, RH Taylor, LJ Nelson, ...
Computational Materials Science 58, 227-235, 2012
12032012
First-principles elastic constants and electronic structure of and PtSi
O Beckstein, JE Klepeis, GLW Hart, O Pankratov
Physical Review B 63 (13), 134112, 2001
5102001
Machine learning for alloys
GLW Hart, T Mueller, C Toher, S Curtarolo
Nature Reviews Materials 6 (8), 730-755, 2021
4662021
Algorithm for generating derivative structures
GLW Hart, RW Forcade
Physical Review B—Condensed Matter and Materials Physics 77 (22), 224115, 2008
4522008
Evolutionary approach for determining first-principles hamiltonians
GLW Hart, V Blum, MJ Walorski, A Zunger
Nature materials 4 (5), 391-394, 2005
3772005
The AFLOW standard for high-throughput materials science calculations
CE Calderon, JJ Plata, C Toher, C Oses, O Levy, M Fornari, A Natan, ...
Computational Materials Science 108, 233-238, 2015
3312015
Accelerating high-throughput searches for new alloys with active learning of interatomic potentials
K Gubaev, EV Podryabinkin, GLW Hart, AV Shapeev
Computational Materials Science 156, 148-156, 2019
3282019
Compressive sensing as a paradigm for building physics models
LJ Nelson, GLW Hart, F Zhou, V Ozoliņš
Physical Review B—Condensed Matter and Materials Physics 87 (3), 035125, 2013
2752013
The AFLOW library of crystallographic prototypes: part 1
MJ Mehl, D Hicks, C Toher, O Levy, RM Hanson, G Hart, S Curtarolo
Computational Materials Science 136, S1-S828, 2017
2552017
Using genetic algorithms to map first-principles results to model Hamiltonians: Application to the generalized Ising model for alloys
V Blum, GLW Hart, MJ Walorski, A Zunger
Physical Review B—Condensed Matter and Materials Physics 72 (16), 165113, 2005
2022005
UNCLE: a code for constructing cluster expansions for arbitrary lattices with minimal user-input
D Lerch, O Wieckhorst, GLW Hart, RW Forcade, S Müller
Modelling and Simulation in Materials Science and Engineering 17 (5), 055003, 2009
1932009
Generating derivative structures from multilattices: Algorithm and application to hcp alloys
GLW Hart, RW Forcade
Physical Review B—Condensed Matter and Materials Physics 80 (1), 014120, 2009
1802009
Machine-learned multi-system surrogate models for materials prediction
C Nyshadham, M Rupp, B Bekker, AV Shapeev, T Mueller, ...
npj Computational Materials 5 (1), 51, 2019
1422019
Generating derivative structures at a fixed concentration
GLW Hart, LJ Nelson, RW Forcade
Computational Materials Science 59, 101-107, 2012
1382012
Electronic structure of BAs and boride III-V alloys
GLW Hart, A Zunger
Physical Review B 62 (20), 13522, 2000
1352000
The AFLOW library of crystallographic prototypes: part 2
D Hicks, MJ Mehl, E Gossett, C Toher, O Levy, RM Hanson, G Hart, ...
Computational Materials Science 161, S1-S1011, 2019
1292019
Comprehensive search for new phases and compounds in binary alloy systems based on platinum-group metals, using a computational first-principles approach
GLW Hart, S Curtarolo, TB Massalski, O Levy
Physical Review X 3 (4), 041035, 2013
1292013
Hafnium binary alloys from experiments and first principles
O Levy, GLW Hart, S Curtarolo
Acta Materialia 58 (8), 2887-2897, 2010
1252010
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