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Physical Review Letters|June 10, 2017
Long-Range Repulsion Between Spatially Confined van der Waals DimersMainak Sadhukhan, Alexandre TkatchenkoPhysical Review Letters|November 17, 2018
Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals RadiusDmitry V Fedorov, Mainak Sadhukhan, Martin Stöhr, et al.Nature Communications|January 9, 2021
Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materialsMartin Stöhr, Mainak Sadhukhan, Yasmine S Al-Hamdani, et al.Journal of Computational Chemistry|January 16, 2023
Modeling coarse-grained van der Waals interactions using dipole-coupled anisotropic quantum Drude oscillatorsPrasanta Bandyopadhyay, Mainak SadhukhanJournal of Molecular Modeling|June 23, 2018
An investigation into possible quantum chaos in the H2 molecule under intense laser fields via Ehrenfest phase space (EPS) trajectoriesMainak Sadhukhan, B M DebPhysical Chemistry Chemical Physics : PCCP|March 29, 2022
A simple fragment-based method for van der Waals corrections over density functional theoryPrasanta Bandyopadhyay, Priya, Mainak SadhukhanPhysical Review Letters|March 5, 2009
Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference dataAlexandre Tkatchenko, Matthias SchefflerThe Journal of Physical Chemistry Letters|July 9, 2021
Machine Learning Force Fields: Recent Advances and Remaining ChallengesIgor Poltavsky, Alexandre TkatchenkoAccounts of Chemical Research|June 6, 2014
Understanding molecular crystals with dispersion-inclusive density functional theory: pairwise corrections and beyondLeeor Kronik, Alexandre TkatchenkoNature Communications|February 15, 2025
Non-local interactions determine local structure and lithium diffusion in solid electrolytesSwastika Banerjee, Alexandre TkatchenkoPageof 20