Abhishek Bagusetty

Computational Design and Evaluation of New Materials for Energy and Environmental Applications

Abhishek Bagusetty, 2020 .

Modeling of Diffusion of Acetone in UiO-66

C. Wilmer, Prasenjit Das, J. Johnson, 2020, The Journal of Physical Chemistry C.

Impact of Support Interactions for Single-Atom Molybdenum Catalysts on Amorphous Silica

J. Johnson, D. Lambrecht, Abhishek Bagusetty, 2016 .

Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx

Álvaro Vázquez-Mayagoitia, Chao Yang, Douglas Doerfler, 2021, Parallel Comput..

Towards Cross-Platform Portability of Coupled-Cluster Methods with Perturbative Triples using SYCL

Gavin Brown, Abhishek Bagusetty, A. Panyala, 2022, 2022 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC).

Unraveling Anhydrous Proton Conduction in Hydroxygraphane.

Abhishek Bagusetty, J. Johnson, 2019, The journal of physical chemistry letters.

Adsorption separation of heavier isotope gases in subnanometer carbon pores

Y. Gogotsi, Hideki Tanaka, Fernando Vallejos-Burgos, 2021, Nature Communications.

Graphamine: Amine-Functionalized Graphane for Intrinsic Anhydrous Proton Conduction

Abhishek Bagusetty, Joshua L. Livingston, Joshua Livingston, 2018, The Journal of Physical Chemistry C.

Facile Anhydrous Proton Transport on Hydroxyl Functionalized Graphane.

Pabitra Choudhury, Abhishek Bagusetty, Bridget Derksen, 2017, Physical review letters.