Shafat Mubin

Background in computational physics with specialisation in molecular dynamics

Research Expertise

Computational Mathematics

Mechanics of Materials

Physical and Theoretical Chemistry

About

I have a background in computational physics (PhD, Penn State, 2016) and I have many years of experience using LAMMPS to perform molecular dynamics (MD) simulations, using enhanced sampling techniques such as forward-flux sampling and bond-boost method. Additionally, I have engaged in communication and collaboration through the LAMMPS mailing list with students and researchers, and I have built a wide repository of experience in research topics over the years and authored a user guide to modify the LAMMPS source code. Otherwise, I am employed as an associate professor of physics at Valdosta State University, where I conduct research and academic work using Python and Mathematica.

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Publications

Hyperdynamics made simple: Accelerated molecular dynamics with the Bond-Boost method

Computational Materials Science

2015

Elucidation of SARS-Cov-2 Budding Mechanisms through Molecular Dynamics Simulations of M and E Protein Complexes

The Journal of Physical Chemistry Letters

2021

Education

Pennsylvania State University

PhD, Molecular Dynamics / December, 2016

State College, Pennsylvania, United States of America

Bard College

BA, Physics / May, 2009

Annandale-on-Hudson, New York, United States of America

Experience

Valdosta State University

Assistant Professor

Links & Social Media

ORCID

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