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Mayank Agrawal
Mayank Agrawal
TSMC Technology Inc, Brown University, Georgia Institute of Technology
Verified email at brown.edu - Homepage
Title
Cited by
Cited by
Year
How useful are common simulants of chemical warfare agents at predicting adsorption behavior?
M Agrawal, DF Sava Gallis, JA Greathouse, DS Sholl
The Journal of Physical Chemistry C 122 (45), 26061-26069, 2018
692018
Liquid-Phase Multicomponent Adsorption and Separation of Xylene Mixtures by Flexible MIL-53 Adsorbents
M Agrawal, S Bhattacharyya, Y Huang, KC Jayachandrababu, ...
The Journal of Physical Chemistry C 122 (1), 386-397, 2017
582017
Effect of intrinsic flexibility on adsorption properties of metal-organic frameworks at dilute and non-dilute loadings
M Agrawal, DS Sholl
ACS applied materials & interfaces 11 (34), 31060-31068, 2019
552019
Does repeat synthesis in materials chemistry obey a power law?
M Agrawal, R Han, D Herath, DS Sholl
Proceedings of the National Academy of Sciences 117 (2), 877-882, 2020
412020
Determining Diffusion Coefficients of Chemical Warfare Agents in Metal-Organic Frameworks
M Agrawal, SE Boulfelfel, DF Sava Gallis, JA Greathouse, DS Sholl
The journal of physical chemistry letters 10 (24), 7823-7830, 2019
392019
Impact of Intrinsic Framework Flexibility for Selective Adsorption of Sarin in Non-Aqueous Solvents using Metal-Organic Frameworks
J Park, M Agrawal, DFS Gallis, J Harvey, J Greathouse, D Sholl
Physical Chemistry Chemical Physics 22, 6441-6448, 2020
252020
Experimentally verified alcohol adsorption isotherms in nanoporous materials from literature meta-analysis
LW Bingel, A Chen, M Agrawal, DS Sholl
Journal of Chemical & Engineering Data 65 (10), 4970-4979, 2020
202020
Augmenting the Carbon Dioxide Uptake and Selectivity of Metal–Organic Frameworks by Metal Substitution: Molecular Simulations of LMOF-202
A Agrawal, M Agrawal, D Suh, S Fei, A Alizadeh, Y Ma, R Matsuda, ...
ACS omega 5 (28), 17193-17198, 2020
72020
Molecular simulation study on the flexibility in the interpenetrated metal–organic framework LMOF-201 using reactive force field
A Agrawal, M Agrawal, D Suh, Y Ma, R Matsuda, A Endo, WL Hsu, ...
Journal of materials chemistry A 8 (32), 16385-16391, 2020
62020
Calculation of self, corrected, and transport diffusivities of isopropyl alcohol in UiO-66
CV Mhatre, JJ Wardzala, PB Shukla, M Agrawal, JK Johnson
Nanomaterials 13 (11), 1793, 2023
22023
Towards accurate and efficient process simulations based on atomistic and neural network approaches
L Li, M Agrawal, SY Yeh, KT Lam, J Wu, B Magyari-Köpe
2022 International Electron Devices Meeting (IEDM), 15.6. 1-15.6. 4, 2022
22022
Modeling Surface Vibrations and Their Role in Molecular Adsorption: A Generalized Langevin Approach
A Farahvash, M Agrawal, AA Peterson, AP Willard
Journal of Chemical Theory and Computation 19 (18), 6452–6460, 2023
2023
Numerical methods for the parametrization of the lattice generalized langevin equation: applications to surface desoprtion.
A Farahvash, M Agarwal, A Willard
APS March Meeting Abstracts 2022, T02. 008, 2022
2022
Computational Modeling of Adsorption of Complex Molecules in Metal-Organic Frameworks
M Agrawal
Georgia Institute of Technology, 2019
2019
Framework Flexibility Driven Adsorptive Separation of C8 Aromatic Isomers in Metal Organic Frameworks: A Computational Exploration
M Agrawal, D Sholl
2017 AIChE Annual Meeting, 2017
2017
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Articles 1–15