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Abhishek Bagusetty
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Modeling of diffusion of acetone in UiO-66
JJ Wardzala, JP Ruffley, I Goodenough, AM Schmidt, PB Shukla, X Wei, ...
The Journal of Physical Chemistry C 124 (52), 28469-28478, 2020
292020
Impact of support interactions for single-atom molybdenum catalysts on amorphous silica
CS Ewing, A Bagusetty, EG Patriarca, DS Lambrecht, G Veser, ...
Industrial & engineering chemistry research 55 (48), 12350-12357, 2016
292016
Facile anhydrous proton transport on hydroxyl functionalized graphane
A Bagusetty, P Choudhury, WA Saidi, B Derksen, E Gatto, JK Johnson
Physical Review Letters 118 (18), 186101, 2017
262017
Adsorption separation of heavier isotope gases in subnanometer carbon pores
SK Ujjain, A Bagusetty, Y Matsuda, H Tanaka, P Ahuja, C de Tomas, ...
Nature communications 12 (1), 546, 2021
232021
Nebo: An efficient, parallel, and portable domain-specific language for numerically solving partial differential equations
C Earl, M Might, A Bagusetty, JC Sutherland
Journal of Systems and Software 125, 389-400, 2017
162017
Unraveling anhydrous proton conduction in hydroxygraphane
A Bagusetty, JK Johnson
The journal of physical chemistry letters 10 (3), 518-523, 2019
152019
Graphamine: amine-functionalized graphane for intrinsic anhydrous proton conduction
A Bagusetty, J Livingston, JK Johnson
The Journal of Physical Chemistry C 123 (3), 1566-1571, 2018
112018
Portable C++ code that can look and feel like Fortran code with yet another kernel launcher (YAKL)
M Norman, I Lyngaas, A Bagusetty, M Berrill
International Journal of Parallel Programming 51 (4), 209-230, 2023
82023
Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx
DB Williams-Young, A Bagusetty, WA de Jong, D Doerfler, HJJ van Dam, ...
Parallel Computing 108, 102829, 2021
72021
TAMM: Tensor algebra for many-body methods
E Mutlu, A Panyala, N Gawande, A Bagusetty, J Glabe, J Kim, K Kowalski, ...
The Journal of Chemical Physics 159 (2), 2023
62023
Towards cross-platform portability of coupled-cluster methods with perturbative triples using sycl
A Bagusetty, A Panyala, G Brown, J Kirk
2022 IEEE/ACM International Workshop on Performance, Portability and …, 2022
42022
NWChem and NWChemEx plane-wave methods
EJ Bylaska, D Song, ES Ilton, A Bagusetty, D Bross, ...
Elsevier, 2023
12023
Making Uintah Performance Portable for Department of Energy Exascale Testbeds
JK Holmen, M García, A Bagusetty, A Sanderson, M Berzins
European Conference on Parallel Processing, 115-126, 2023
2023
SYCL Concurrency on GPU Platforms: Empirical Measurement
T Applencourt, A Bagusetty, A Panyala, A Alpay
International Workshop on OpenCL, 1-1, 2022
2022
Approaching Coupled Cluster Theory with Perturbative Triples using SYCL
A Bagusetty, J Kim, A Panyala, A Vazquez-Mayagoitia, K Kowalski, ...
International Workshop on OpenCL, 1, 2021
2021
Nuclear Quantum Effects on Adsorption in Nanoporous Structures
A Bagusetty, K Johnson
2019 AIChE Annual Meeting, 2019
2019
Accurate modeling of amorphous silica catalyst supports
K Johnson, A Bagusetty, C Ewing, G Veser, D Lambrecht, J McCarthy
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
Computational Design and Evaluation of New Materials for Energy and Environmental Applications
A Bagusetty
University of Pittsburgh, 2019
2019
Design of 2-D Novel Materials for Anhydrous Proton Transport
A Bagusetty, K Johnson
2018 AIChE Annual Meeting, 2018
2018
Hydroxylated Graphane: An Anhydrous Proton Exchange Membrane
A Bagusetty, P Choudhury, K Johnson
2017 AIChE Annual Meeting, 2017
2017
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Articles 1–20