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Anup Pandey
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Spin–phonon couplings in transition metal complexes with slow magnetic relaxation
DH Moseley, SE Stavretis, K Thirunavukkuarasu, M Ozerov, Y Cheng, ...
Nature communications 9 (1), 2572, 2018
1022018
Evolution of amorphous carbon across densities: An inferential study
B Bhattarai, A Pandey, DA Drabold
Carbon 131, 168-174, 2018
642018
Inversion of diffraction data for amorphous materials
A Pandey, P Biswas, DA Drabold
Scientific Reports 6 (1), 33731, 2016
642016
Force-enhanced atomic refinement: Structural modeling with interatomic forces in a reverse Monte Carlo approach applied to amorphous Si and SiO 2
A Pandey, P Biswas, DA Drabold
Physical Review B 92 (15), 155205, 2015
492015
Machine learning based surrogate modeling approach for mapping crystal deformation in three dimensions
A Pandey, R Pokharel
Scripta Materialia 193, 1-5, 2021
452021
Realistic inversion of diffraction data for an amorphous solid: The case of amorphous silicon
A Pandey, P Biswas, B Bhattarai, DA Drabold
Physical Review B 94 (23), 235208, 2016
322016
The effect of porosity and microcracking on the thermomechanical properties of cordierite
A Shyam, G Bruno, TR Watkins, A Pandey, E Lara-Curzio, CM Parish, ...
Journal of the European Ceramic Society 35 (16), 4557-4566, 2015
312015
Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides
A Borgschulte, J Terreni, E Billeter, L Daemen, Y Cheng, A Pandey, ...
Proceedings of the National Academy of Sciences 117 (8), 4021-4026, 2020
292020
Electrical activity of boron and phosphorus in hydrogenated amorphous silicon
A Pandey, B Cai, N Podraza, DA Drabold
Physical Review Applied 2 (5), 054005, 2014
202014
Machine learning enabled surrogate crystal plasticity model for spatially resolved 3D orientation evolution under uniaxial tension
A Pandey, R Pokharel
arXiv preprint arXiv:2005.00951, 2020
122020
Density functional theory model of amorphous zinc oxide (a-ZnO) and a-X0. 375Z0. 625O (X= Al, Ga and In)
A Pandey, H Scherich, DA Drabold
Journal of Non-Crystalline Solids 455, 98-101, 2017
122017
Physics-informed data-driven surrogate modeling for full-field 3D microstructure and micromechanical field evolution of polycrystalline materials
R Pokharel, A Pandey, A Scheinker
JOM 73 (11), 3371-3382, 2021
82021
Exposing Key Vibrational Contributions to Properties of Organic Molecular Solids with High Signal, Low Frequency Neutron Spectroscopy and Ab Initio Simulations
A Pandey, A Sedova, LL Daemen, Y Cheng, AJ Ramirez-Cuesta
Crystal Growth & Design 18 (9), 4815-4821, 2018
62018
Molecular Dynamics Study of Diffusion of Different Inert Gases Like Neon and Argon in Water at Different Temperatures
HB Moktan, A Panday, NP Adhikari
International Journal of Modern Physics B 26 (03), 1250016, 2012
62012
Machine learning interatomic potential for high-throughput screening of high-entropy alloys
A Pandey, J Gigax, R Pokharel
JOM 74 (8), 2908-2920, 2022
42022
Theoretical study of alkali-metal hydrides at high pressures: a case of NaH supported by inelastic neutron scattering (INS) experiments at 1 and 2 GPa
A Pandey, J Zhang, Y Cheng, L Daemen, AJ Ramirez-Cuesta
The Journal of Physical Chemistry A 123 (46), 10079-10085, 2019
22019
Periodic DFT calculations of vibrational and molecular dynamics on large organic molecular systems using olcf computers
A Sedova, A Pandey, MD Smith
12018
Adaptive machine-learned force field development for high entropy alloy studies [Slides]
A Pandey
Los Alamos National Lab.(LANL), Los Alamos, NM (United States), 2022
2022
Machine learning interatomic potential for high throughput screening and optimization of high-entropy alloys
A Pandey, J Gigax, R Pokharel
arXiv preprint arXiv:2201.08906, 2022
2022
Real-time analysis of diffraction data for enabling in-situ measurements
A Pandey, R Pokharel
Los Alamos National Lab.(LANL), Los Alamos, NM (United States), 2020
2020
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