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Samir Budhathoki
Samir Budhathoki
Battelle Memorial Institute
Verified email at netl.doe.gov
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Cited by
Cited by
Year
High-throughput computational prediction of the cost of carbon capture using mixed matrix membranes
S Budhathoki, O Ajayi, JA Steckel, CE Wilmer
Energy & Environmental Science 12 (4), 1255-1264, 2019
772019
Combined application of high-field diffusion NMR and molecular dynamics simulations to study dynamics in a mixture of carbon dioxide and an imidazolium-based ionic liquid
ED Hazelbaker, S Budhathoki, A Katihar, JK Shah, EJ Maginn, ...
The Journal of Physical Chemistry B 116 (30), 9141-9151, 2012
552012
Molecular Simulation Study of the Solubility, Diffusivity and Permselectivity of Pure and Binary Mixtures of CO2 and CH4 in the Ionic Liquid 1-n-Butyl-3 …
S Budhathoki, JK Shah, EJ Maginn
Industrial & Engineering Chemistry Research 54 (35), 8821-8828, 2015
412015
Molecular simulation study of the performance of supported ionic liquid phase materials for the separation of carbon dioxide from methane and hydrogen
S Budhathoki, JK Shah, EJ Maginn
Industrial & Engineering Chemistry Research 56 (23), 6775-6784, 2017
402017
Molecular design and fabrication of PIM-1/polyphosphazene blend membranes with high performance for CO2/N2 separation
AK Sekizkardes, S Budhathoki, L Zhu, V Kusuma, Z Tong, JS McNally, ...
Journal of Membrane Science 640, 119764, 2021
232021
Amine-functionalized porous organic polymers for carbon dioxide capture
AK Sekizkardes, P Wang, J Hoffman, S Budhathoki, D Hopkinson
Materials Advances 3 (17), 6668-6686, 2022
222022
Relationship between diffusion and chemical exchange in mixtures of carbon dioxide and an amine-functionalized ionic liquid by high field NMR and kinetic Monte Carlo simulations
ED Hazelbaker, S Budhathoki, H Wang, J Shah, EJ Maginn, S Vasenkov
The Journal of Physical Chemistry Letters 5 (10), 1766-1770, 2014
82014
Job satisfaction of nurses in Western region of Nepal
J Shah, AB Hamal, G Hamal, M Shah, SS Budhathoki
Nurse Health Care 11 (3), 45-55, 2019
72019
Creation of Polymer Datasets with Targeted Backbones for Screening of Gas Permeability and Selectivity
SP Tiwari, W Shi, S Budhathoki, J Baker, D Hopkinson, J Steckel
12023
Molecular modeling and simulation study of the structure and dynamics of confined ionic liquids and their performance in gas separations
S Budhathoki
University of Notre Dame, 2016
12016
Creation of Polymer Datasets with Targeted Backbones for Screening of High-Performance Membranes for Gas Separation
SP Tiwari, W Shi, S Budhathoki, J Baker, AK Sekizkardes, L Zhu, ...
Journal of Chemical Information and Modeling, 2024
2024
Computational Modeling of Metal Organic Frameworks for Carbon Capture
S Budhathoki, J Findley, C Martin, T Baucom
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV …, 2023
2023
Effect of Flexibility in Molecular Simulations of Carbon Dioxide Adsorption and Diffusion in a Cuprous Triazolate Framework
T Baucom, S Budhathoki, JA Steckel
The Journal of Physical Chemistry C 127 (35), 17524-17531, 2023
2023
CO2 Adsorption Enhancement of MOF-808 via Highly Efficient Amine Incorporation
P Muldoon, S Budhathoki, C Wilmer, D Sorescu, J Steckel
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV …, 2023
2023
Computational Evaluation of Flexible Metal-Organic Frameworks for Capture
J Findley, S Budhathoki, J Steckel
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV …, 2023
2023
Creation of Polymer Datasets for Screening of Gas Permeability and Selectivity
S Tiwari, W Shi, S Budhathoki, J Baker, J Steckel, D Hopkinson
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV …, 2023
2023
Computationally-Aided Design of Amine-Grafted MOFs for Direct Air Capture
P Muldoon, S Budhathoki, C Wilmer, D Sorescu, J Steckel
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV …, 2022
2022
Computational Screening of Metal Organic Frameworks (MOFS) for Carbon Capture
S Budhathoki, C Wilmer, J Steckel
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV …, 2022
2022
Computational Screening of MOFs for Carbon Capture
CEW Samir Budhathoki, Janice A. Steckel
Carbon management meting, 2022
2022
Systematic Chem-Informatics and Machine Learning Studies for Gas Permeability and Selectivity in Polymers
W Shi, S Tiwari, S Budhathoki, JA Steckel, A Sekizkardes, L Zhu, S Yi, ...
2021 AIChE Annual Meeting, 2021
2021
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