‪Ritama Kar‬ - ‪Google Scholar‬

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Citations	10	10
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2022202320241 6 3

Co-authors

Nisanth N. NairIndian Institute of Technology KanpurVerified email at iitk.ac.in
Sagarmoy MandalPurdue UniversityVerified email at purdue.edu
Vaishali ThakkurResearch Scholar, Indian Institute of Technology KanpurVerified email at iitk.ac.in

Ritama Kar

Ritama Kar

Research Scholar, Indian Institute of Technology Kanpur

Verified email at iitk.ac.in

Theoretical Chemistry Density Functional Theory Electronic Structure Theory Ab Initio Molecular


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Hybrid Functional and Plane Waves based Ab Initio Molecular Dynamics Study of the Aqueous Fe²⁺/Fe³⁺ Redox Reaction** S Mandal, R Kar, B Meyer, NN Nair ChemPhysChem 24 (3), e202200617, 2023	5	2023
Improving the scaling and performance of multiple time stepping‐based molecular dynamics with hybrid density functionals S Mandal, R Kar, T Klöffel, B Meyer, NN Nair Journal of Computational Chemistry 43 (9), 588-597, 2022	5	2022
Speeding-up Hybrid Functional-Based Ab Initio Molecular Dynamics Using Multiple Time-stepping and Resonance-Free Thermostat R Kar, S Mandal, V Thakkur, B Meyer, NN Nair Journal of Chemical Theory and Computation 19 (22), 8351-8364, 2023		2023

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