Anup Pandey
Title
Cited by
Cited by
Year
Inversion of diffraction data for amorphous materials
A Pandey, P Biswas, DA Drabold
Scientific reports 6, 33731, 2016
312016
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
262015
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), 1-11, 2018
242018
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
192015
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
172016
Evolution of amorphous carbon across densities: An inferential study
B Bhattarai, A Pandey, DA Drabold
Carbon 131, 168-174, 2018
132018
Effect of microcracking on the uniaxial tensile response of β-eucryptite ceramics: Experiments and constitutive model
RC Cooper, G Bruno, MR Wheeler, A Pandey, TR Watkins, A Shyam
Acta Materialia 135, 361-371, 2017
112017
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
82014
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
52017
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
52012
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
32018
Periodic DFT calculations of vibrational and molecular dynamics on large organic molecular systems using olcf computers
A Sedova, A Pandey, MD Smith
1
Towards Spectroscopic Accuracy for In-Silico Materials Design
A Sedova, A Pandey, A Ramirez-Cuesta
Bulletin of the American Physical Society, 2020
2020
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
2020
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
2019
Violation of the Switendick criterion in metal hydrides evidenced by inelastic neutron scattering
A Ramirez-Cuesta, A Borgschulte, A Pandey
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Combined Next-Generation Neutron Vibrational Spectroscopy and High-Accuracy Massively Parallel DFT Calculations Benchmark Electronic Descriptions of Complex Organic Molecular …
A Pandey, A Sedova, L Daemen, Y Cheng, A Ramirez-Cuesta
APS Meeting Abstracts, 2019
2019
Low Frequency Neutron Spectroscopy of Organic Molecular Solids and Parallel First-Principles Calculations
A Sedova, A Pandey
Bulletin of the American Physical Society 63, 2018
2018
Probing Molecular Crystals by Combined Inelastic Neutrons Scattering (INS) Experiments and First-principle Techniques
A Pandey, A Sedova, Y Cheng, D Luke, A Ramirez-Cuesta
Bulletin of the American Physical Society 63, 2018
2018
Information based structure determination of amorphous carbon
B Bhattarai, A Pandey, P Biswas, D Drabold
Bulletin of the American Physical Society 63, 2018
2018
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Articles 1–20