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Andrew Rohskopf

Los Alamos National Laboratory

12H-index
47Paper Count
975Citation Count
Published Papers 13
Publication Date
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Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2025-06-06
err0
errOAAI
errCangi, Attila; Fiedler, Lenz; Brzoza, Bartosz; Shah, Karan; Callow, Timothy J.; Kotik, Daniel; Schmerler, Steve; Barry, Matthew C.; Goff, James M.; Rohskopf, Andrew; Vogel, Dayton J.; Modine, Normand; Thompson, Aidan P.; Rajamanickam, Sivasankaran
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Probing iron in Earth's core with molecular-spin dynamics
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2024-12-12
err0
errOAAI
errNikolov, Svetoslav; Ramakrishna, Kushal; Rohskopf, Andrew; Lokamani, Mani; Tranchida, Julien; Carpenter, John; Cangi, Attila; Mao, Ho-kwang
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Active learning for SNAP interatomic potentials via Bayesian predictive uncertainty
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2024-06-01
err1
PREAI
errWilliams, Logan; Sargsyan, Khachik; Rohskopf, Andrew; Najm, Habib N.
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JARVIS-Leaderboard: a large scale benchmark of materials design methods
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-05-07
err6
errOAAI
errChoudhary, Kamal; Wines, Daniel; Li, Kangming; Garrity, Kevin F.; Gupta, Vishu; Romero, Aldo H.; Krogel, Jaron T.; Saritas, Kayahan; Fuhr, Addis; Ganesh, Panchapakesan; Kent, Paul R. C.; Yan, Keqiang; Lin, Yuchao; Ji, Shuiwang; Blaiszik, Ben; Reiser, Patrick; Friederich, Pascal; Agrawal, Ankit; Tiwary, Pratyush; Beyerle, Eric; Minch, Peter; Rhone, Trevor David; Takeuchi, Ichiro; Wexler, Robert B.; Mannodi-Kanakkithodi, Arun; Ertekin, Elif; Mishra, Avanish; Mathew, Nithin; Wood, Mitchell; Rohskopf, Andrew Dale; Hattrick-Simpers, Jason; Wang, Shih-Han; Achenie, Luke E. K.; Xin, Hongliang; Williams, Maureen; Biacchi, Adam J.; Tavazza, Francesca
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Shadow Molecular Dynamics and Atomic Cluster Expansions for Flexible Charge Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-29
err3
errOAAI
errGoff, James; Zhang, Yu; Negre, Christian; Rohskopf, Andrew; Niklasson, Anders M. N.
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Proper orthogonal descriptors for efficient and accurate interatomic potentials
errJOURNAL OF COMPUTATIONAL PHYSICS
IF3.8
err2023-05-01
err9
errOAAI
errNguyen, Ngoc Cuong; Rohskopf, Andrew
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errSave
Machine learned interatomic potentials for modeling interfacial heat transport in Ge/GaAs
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2021-12-01
err10
errOAAI
errWyant, Spencer; Rohskopf, Andrew; Henry, Asegun
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errSave
Fast & accurate interatomic potentials for describing thermal vibrations
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2020-11-01
err10
errOAAI
errRohskopf, Andrew; Wyant, Spencer; Gordiz, Kiarash; Seyf, Hamid Reza; Muraleedharan, Murali Gopal; Henry, Asegun
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A deep neural network interatomic potential for studying thermal conductivity of β-Ga2O3
errAPPLIED PHYSICS LETTERS
IF3.6
err2020-10-14
err66
errOAAI
errLi, Ruiyang; Liu, Zeyu; Rohskopf, Andrew; Gordiz, Kiarash; Henry, Asegun; Lee, Eungkyu; Luo, Tengfei
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Thermal Boundary Conductance Across Heteroepitaxial ZnO/GaN Interfaces: Assessment of the Phonon Gas Model (vol 18, pg 7469, 2018)
errNANO LETTERS
IF9.1
err2019-01-23
err0
PREAI
errGaskins, John T.; Kotsonis, George; Giri, Ashutosh; Ju, Shenghong; Rohskopf, Andrew; Wang, Yekan; Bai, Tingyu; Sachet, Edward; Shelton, Christopher T.; Liu, Zeyu; Cheng, Zhe; Foley, Brian M.; Graham, Samuel; Luo, Tengfei; Henry, Asegun; Goorsky, Mark S.; Shiomi, Junichiro; Maria, Jon-Paul; Hopkins, Patrick E.
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Thermal Boundary Conductance Across Heteroepitaxial ZnO/GaN Interfaces: Assessment of the Phonon Gas Model
errNANO LETTERS
IF9.1
err2018-11-09
err66
PREAI
errGaskins, John T.; Kotsonis, George; Giri, Ashutosh; Ju, Shenghong; Rohskopf, Andrew; Wang, Yekan; Bai, Tingyu; Sachet, Edward; Shelton, Christopher T.; Liu, Zeyu; Cheng, Zhe; Foley, Brian M.; Graham, Samuel; Luo, Tengfei; Henry, Asegun; Goorsky, Mark S.; Shiomi, Junichiro; Maria, Jon-Paul; Hopkins, Patrick E.
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The Importance of Phonons with Negative Phase Quotient in Disordered Solids
errSCIENTIFIC REPORTS
IF3.9
err2018-02-08
err11
errOAAI
errSeyf, Hamid Reza; Lv, Wei; Rohskopf, Andrew; Henry, Asegun
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errSave
Empirical interatomic potentials optimized for phonon properties
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2017-07-12
err37
errOAAI
errRohskopf, Andrew; Seyf, Hamid R.; Gordiz, Kiarash; Tadano, Terumasa; Henry, Asegun
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
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Patrick E. Hopkins
H-index: 73 · Papers: 574
S
Samuel Graham
H-index: 70 · Papers: 519
I
Ichiro Takeuchi
H-index: 70 · Papers: 631
P
Paul R. C. Kent
H-index: 63 · Papers: 368
J
Junichiro Shiomi
H-index: 60 · Papers: 492
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