Biswajit Santra

Research Assistant Professor

Temple University

United States

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Articles (10)

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2021

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2021

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2021

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2020

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Collaborators (12)

Juan Peralta

Professor

Central Michigan University

UNITED STATES

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Kamal Wagle

Virginia Tech

UNITED STATES

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Niraj Nepal

Poznan Supercomputing and Networking Center

UNITED STATES

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Rajendra R. Zope

University of Texas at El Paso

UNITED STATES

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kamal sharkas

Visiting Assistant Professor

State University of New York at Oswego

UNITED STATES

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Chunyi Zhang

Princeton University

UNITED STATES

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Hsin-Yu Ko

Assistant Professor

University of North Texas

UNITED STATES

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Robert DiStasio

Assistant Professor

Cornell University

UNITED STATES

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Koblar Jackson

Professor

Central Michigan University

UNITED STATES

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Mark R. Pederson

UNITED STATES

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Yoh Yamamoto

Assistant Professor of Research

University of Texas at El Paso

UNITED STATES

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Xifan Wu

Temple University

UNITED STATES

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Biswajit Santra

Research Interests

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Articles (10)

Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and Isobaric–Isothermal Ensembles

Exploring and enhancing the accuracy of interior-scaled Perdew–Zunger self-interaction correction

Self-interaction correction in water–ion clusters

A step in the direction of resolving the paradox of Perdew–Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation

Self-interaction error overbinds water clusters but cancels in structural energy differences

Isotope effects in molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on the SCAN functional

The Fermi–Löwdin self-interaction correction for ionization energies of organic molecules

Isotope effects in x-ray absorption spectra of liquid water

Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory

Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance

Collaborators (12)

Juan Peralta

Kamal Wagle

Niraj Nepal

Rajendra R. Zope

kamal sharkas

Chunyi Zhang

Hsin-Yu Ko

Robert DiStasio

Koblar Jackson

Mark R. Pederson

Yoh Yamamoto

Xifan Wu

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