Biswajit Santra

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 6

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

Nature chemistry

Proceedings of the National Academy of Sciences of the United States of America

Temple University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Temple University Feb 1o 2018

United States

Research Assistant Professor :: Physics

Publications

Hsin-Yu Ko, Biswajit Santra, Robert A DiStasio
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric-Isoenthalpic and Isobaric-Isothermal Ensembles. Journal of chemical theory and computation (2021)
Kamal Sharkas, Kamal Wagle, Biswajit Santra, Sharmin Akter, Rajendra R Zope, Tunna Baruah, Koblar A Jackson, John P Perdew, Juan E Peralta
Self-interaction error overbinds water clusters but cancels in structural energy differences. Proceedings of the National Academy of Sciences of the United States of America 117 (21) (2020)
Hsin-Yu Ko, Junteng Jia, Biswajit Santra, Xifan Wu, Roberto Car, Robert A DiStasio
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance. Journal of chemical theory and computation 16 (6) (2020)
Rajendra R Zope, Yoh Yamamoto, Carlos M Diaz, Tunna Baruah, Juan E Peralta, Koblar A Jackson, Biswajit Santra, John P Perdew
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. The Journal of chemical physics 151 (21) (2019)
Lixin Zheng, Mohan Chen, Zhaoru Sun, Hsin-Yu Ko, Biswajit Santra, Pratikkumar Dhuvad, Xifan Wu
Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble. The Journal of chemical physics 148 (16) (2018)
Mohan Chen, Lixin Zheng, Biswajit Santra, Hsin-Yu Ko, Robert A DiStasio, Michael L Klein, Roberto Car, Xifan Wu
Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer. Nature chemistry 10 (4) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Biswajit Santra