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G. Hart · SciRah

Researcher profile · Semantic Scholar

G. Hart

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G. Hart — researcher profile on SciRah

h-index: 41
Works: 220
Citations: 11K

Most-cited papers

Machine learning for alloys
G. Hart, Tim Mueller, C. Toher, S. Curtarolo
2021Nature Reviews Materials636 citations
Semantic Scholar
The AFLOW standard for high-throughput materials science calculations
Camilo E. Calderon, J. Plata, C. Toher, C. Oses +7 more
2015375 citations Open access
Semantic Scholar
Accelerating high-throughput searches for new alloys with active learning of interatomic potentials
Konstantin Gubaev, E. Podryabinkin, G. Hart, A. Shapeev
2018Computational materials science337 citations Open access
Semantic Scholar
The AFLOW Library of Crystallographic Prototypes: Part 2
David Hicks, M. Mehl, Eric Gossett, C. Toher +4 more
2018Computational materials science186 citations Open access
Semantic Scholar
Machine-learned interatomic potentials for alloys and alloy phase diagrams
Conrad W. Rosenbrock, Konstantin Gubaev, A. Shapeev, L. Pártay +3 more
2019npj Computational Materials144 citations Open access
Semantic Scholar
The AFLOW Library of Crystallographic Prototypes: Part 1
M. Mehl, David Hicks, C. Toher, O. Levy +3 more
2017121 citations Open access
Semantic Scholar
Discovering the building blocks of atomic systems using machine learning: application to grain boundaries
Conrad W. Rosenbrock, E. Homer, Gábor Csányi, G. Hart
2017npj Computational Materials116 citations Open access
Semantic Scholar
General machine-learning surrogate models for materials prediction
C. Nyshadham, Matthias Rupp, Brayden Bekker, A. Shapeev +5 more
2018104 citations Open access
Semantic Scholar
A computational high-throughput search for new ternary superalloys
C. Nyshadham, C. Oses, Jacob E. Hansen, I. Takeuchi +2 more
201679 citations Open access
Semantic Scholar
Machine-learned multi-system surrogate models for materials prediction
C. Nyshadham, Matthias Rupp, Brayden Bekker, A. Shapeev +5 more
2018npj Computational Materials78 citations Open access
Semantic Scholar
Efficiency of Generalized Regular k-point grids
W. S. Morgan, Jeremy J Jorgensen, B. Hess, G. Hart
2018Computational materials science61 citations Open access
Semantic Scholar
Examination of computed aluminum grain boundary structures and energies that span the 5D space of crystallographic character
E. Homer, G. Hart, C. Owens, Derek M. Hensley +2 more
2022Acta Materialia55 citations Open access
Semantic Scholar
The AFLOW Library of Crystallographic Prototypes: Part 3
David Hicks, M. Mehl, M. Esters, C. Oses +4 more
2020Computational materials science49 citations Open access
Semantic Scholar
Tensor-reduced atomic density representations
J. Darby, D. Kov'acs, Ilyes Batatia, M. A. Caro +3 more
2022Physical Review Letters44 citations Open access
Semantic Scholar
Machine-Learning Informed Representations for Grain Boundary Structures
E. Homer, Derek M. Hensley, Conrad W. Rosenbrock, Andrew H. Nguyen +1 more
2019Frontiers in Materials36 citations Open access
Semantic Scholar
Revisiting the revised Ag-Pt phase diagram
G. Hart, Lance J. Nelson, R. Vanfleet, B. Campbell +7 more
201732 citations Open access
Semantic Scholar
Robustness of the cluster expansion: Assessing the roles of relaxation and numerical error
Andrew H. Nguyen, Conrad W. Rosenbrock, C. S. Reese, G. Hart
201732 citations Open access
Semantic Scholar
The AFLOW Library of Crystallographic Prototypes
M. Mehl, David Hicks, C. Toher, O. Levy +3 more
201632 citations
Semantic Scholar
The AFLOW Fleet for Materials Discovery
C. Toher, C. Oses, David Hicks, Eric Gossett +47 more
2017Handbook of Materials Modeling31 citations Open access
Semantic Scholar
Generating derivative superstructures for systems with high configurational freedom
W. S. Morgan, G. Hart, R. Forcade
201729 citations Open access
Semantic Scholar
Generalized regular k-point grid generation on the fly
W. S. Morgan, J. E. Christensen, Parker Hamilton, Jeremy J Jorgensen +3 more
2019Computational materials science26 citations Open access
Semantic Scholar
Effectiveness of smearing and tetrahedron methods: best practices in DFT codes
Jeremy J Jorgensen, G. Hart
2021Modelling and Simulation in Materials Science and Engineering25 citations Open access
Semantic Scholar
Feature engineering descriptors, transforms, and machine learning for grain boundaries and variable-sized atom clusters
C. Owens, N. Mathew, Tyce W. Olaveson, Jacob P. Tavenner +4 more
2024npj Computational Materials23 citations Open access
Semantic Scholar
Machine learning predictions of high-Curie-temperature materials
J. Belot, V. Taufour, S. Sanvito, G. Hart
2023Applied Physics Letters22 citations Open access
Semantic Scholar
A Set of Moment Tensor Potentials for Zirconium with Increasing Complexity.
Yuan Luo, Jason Meziere, G. Samolyuk, G. Hart +2 more
2023Journal of Chemical Theory and Computation19 citations Open access
Semantic Scholar
Accelerating training of MLIPs through small-cell training
Jason Meziere, Yuan Luo, Yi Xia, Laurent Karim Béland +2 more
2023Journal of Materials Research19 citations Open access
Semantic Scholar
Strongly-coupled plasmas formed from laser-heated solids
M. Lyon, S. Bergeson, G. Hart, Michael S. Murillo
2015Scientific Reports19 citations Open access
Semantic Scholar
First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides.
D. Usanmaz, P. Nath, J. Plata, G. Hart +4 more
2015Physical Chemistry, Chemical Physics - PCCP18 citations Open access
Semantic Scholar
Relative Grain Boundary Energies from Triple Junction Geometry: Limitations to Assuming the Herring Condition in Nanocrystalline Thin Films
Matthew J. Patrick, G. Rohrer, Ooraphan Chirayutthanasak, Sutatch Ratanaphan +4 more
2022Social Science Research Network16 citations Open access
Semantic Scholar
A robust algorithm for k-point grid generation and symmetry reduction
G. Hart, Jeremy J Jorgensen, W. S. Morgan, R. Forcade
2018Journal of Physics Communications16 citations Open access
Semantic Scholar
Grain boundary solute segregation across the 5D space of crystallographic character
L. Serafin, Ethan R. Cluff, G. Hart, Eric R. Homer
2024Acta Materialia8 citations Open access
Semantic Scholar
A General Algorithm for Calculating Irreducible Brillouin Zones
Jeremy J Jorgensen, J. E. Christensen, Tyler Jarvis, G. Hart
2021Communications in Computational Physics7 citations Open access
Semantic Scholar
Facet and energy predictions in grain boundaries: Lattice matching and molecular dynamics
Bruno Dobrovolski, C. Owens, G. Hart, E. Homer +1 more
2023Acta Materialia6 citations Open access
Semantic Scholar
High-Throughput Exploration of Lithium-Alloy Protection Layers for High-Performance Lithium-Metal Batteries
K. Manandhar, Yao-Yu Ren, Drew Stasak, Huilong Hou +11 more
2020ACS Applied Energy Materials6 citations Open access
Semantic Scholar
Numerical Algorithm for Pólya Enumeration Theorem
Conrad W. Rosenbrock, W. S. Morgan, G. Hart, S. Curtarolo +1 more
2014ACM Journal of Experimental Algorithmics5 citations Open access
Semantic Scholar
Structural Characterization of Grain Boundaries and Machine Learning of Grain Boundary Energy and Mobility.
Conrad W. Rosenbrock, Jonathan L. Priedeman, G. Hart, E. Homer
20184 citations
Semantic Scholar
MotorBench: A Cryo-Electron Tomography Dataset of Bacterial Flagellar Motors for Testing Detection Algorithms
C. Owens, Rachel Webb, T. J. Hart, Matthew M. Ward +7 more
2025bioRxiv3 citations Open access
Semantic Scholar
Structural determination of a cubic Ni-rich phase in Hf-Ni-Ti
Jason Meziere, Soumya Mohan, Brayden Bekker, Hayden Oliver +3 more
2025Acta Materialia2 citations Open access
Semantic Scholar
POPSICLE: Benchmark Datasets for Segmentation and Localization in CryoET
Jonathan Schwartz, U. Ermel, C. Owens, Zhuowen Zhao +5 more
2026arXiv.org1 citations
Semantic Scholar
MembraneBuilder: High-speed membrane construction for large molecular dynamics simulations
Cayson Hamilton, G. Hart
2025bioRxiv1 citations Open access
Semantic Scholar
A simple, general algorithm for calculating the irreducible Brillouin zone
Jeremy J Jorgensen, J. E. Christensen, Tyler Jarvis, G. Hart
20211 citations
Semantic Scholar
Accelerating the discovery of materials
Jeremy J Jorgensen, G. Hart
20181 citations
Semantic Scholar
Structure solution from powder data using a symmetry-mode parameter set
B. Campbell, H. Stokes, G. Hart, James W. Lewis +2 more
20171 citations Open access
Semantic Scholar
A high-throughput search for new ternary superalloys
C. Nyshadham, Jacob E. Hansen, C. Oses, S. Curtarolo +1 more
20161 citations
Semantic Scholar
Supplementary Material for Finding the Stable Structures of N1-xWX with an Ab-initio High-Throughput Approach
M. Mehl, Daniel Finkenstadt, C. Dane, G. Hart +1 more
20151 citations Open access
Semantic Scholar
How good are universal MLIPs for alloys? A benchmark is only as trustworthy as its controls
G. Hart, Jacob Pursley
20260 citations
Semantic Scholar
Characterization of the grain boundary fundamental zone and Bayesian modeling of grain boundary energy
Oliver K. Johnson, S. Baird, E. Homer, D. Fullwood +1 more
2026Acta Materialia0 citations
Semantic Scholar
IcmX Plug Ejection in L. pneumophila’s Type IV Secretion System: Is It Possible?
Cayson Hamilton, Samuel Bills, Brenden Stark, G. Hart
2025bioRxiv0 citations Open access
Semantic Scholar
eGAD! double descent is explained by Generalized Aliasing Decomposition
M. Transtrum, G. Hart, Tyler J. Jarvis, J. Whitehead
20240 citations
Semantic Scholar
Optimal Routes to Ultrafast Polarization Reversal in Ferroelectric LiNbO3
R. T. Hardy, Conrad W. Rosenbrock, G. Hart, Jeremy A. Johnson
20230 citations
Semantic Scholar

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