Dr. Arya Das
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Molecular dynamics simulation for the calibration of the OPLS force field using DFT derived partial charges for the screening of alkyl phosphate ligands by studying structure …
A Das, P Sahu, SM Ali
Journal of Chemical & Engineering Data 62 (8), 2280-2295, 2017
Understanding of interfacial tension and interface thickness of liquid/liquid interface at a finite concentration of alkyl phosphate by molecular dynamics simulation
A Das, SM Ali
Journal of Molecular Liquids 277, 217-232, 2019
Molecular Dynamics Simulation for the Test of Calibrated OPLS-AA Force Field for Binary Liquid Mixture of Tri-iso-amyl Phosphate and n-Dodecane
A Das, SM Ali
Journal of chemical Physics 148 (7), 2018
Molecular dynamics simulation studies on structure, dynamics, and thermodynamics of uranyl nitrate solution at various acid concentrations
A Das, SM Ali
The Journal of Physical Chemistry B 123 (21), 4571-4586, 2019
Unusual behavior of Stokes–Einstein relation in liquid mixtures
A Das, SM Ali
AIP Advances 10, 045327, 2020
Deciphering the curved profile of uranyl ions at the aqueous-organic interface by atomistic simulations
A Das, SM Ali
Journal of Molecular Liquids 343, 117599, 2021
Molecular dynamics simulation for the screening of composition of tri-isoamyl phosphate and dodecane for use in PUREX process
A Das, S Ali
Proceedings of the eight biennial symposium on emerging trends in separation …, 2018
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Articles 1–7