Molecular Simulations and Force Field Development Laboratory

Linkedin , Google Scholar , Scopus

Principal Investigator

Sairam Swaroop Mallajosyula

Associate Professor, Indian Institute of Technology Gandhinagar (2021 - present)
Assistant Professor, Indian Institute of Technology Gandhinagar (2013 - 2021)
Post-Doctoral Scholar, University of Maryland Baltimore (2009-2013)
PhD, Jawaharlal Nehru Center for Advanced Scientific Research (2009)
M.Sc (Chemistry), Sri Sathya Sai Institute of Higher Learning (2004)
B.Sc (Chemistry), Sri Sathya Sai Institute of Higher Learning (2002)

Current Students

Neha Arya

PhD, July 2021 –

M.Sc (Physical Chemistry), Kurukshetra University

Topic – Force Field development of phytochemicals from Traditional Medicine

Archana Ashri

PhD, October 2021 –

M.Sc (Physical Chemistry), Kurukshetra University

Topic – Force Field development of phytochemicals from Traditional Medicine

Ripan Halder

PhD, December 2023 –

M.Sc (Chemistry), Indian Institute of Technology Jodhpur

Topic – Exploring the hydrophobicity of graphene for nanopore applications

Shreyas Dindorkar

PhD, July 2024 –

M.Sc (Physical Chemistry), University of Mumbai

Topic – Force Field development of Bacterial Cell Membrane

Past Students

Poonam Pandey

PhD, 2013-2019

Title: Theoretical Investigation of Carbohydrates and Glycoproteins: Elucidating Structure, Function and Mechanism

Lata Rani

PhD, 2014-2020

Title: Computational Insights into Two Competitive Protein Post-Translational Modifications: Phosphorylation and O-GlcNAcylation

Hemanth Haridas

PhD, 2018-2024

Title: Title: Polarizable Simulations of Nuceobase-Graphene Interactions and Electrolyte Effects: Insights into Nano-Bio Interfaces

Chythra J. N.

PhD, 2019-2025

Title: Capturing the Ring Conformational Dynamics of Hexopyranoses: Polarization Effects, Force Field Refinements and Quantum Mechanical Investigations

M.Sc Students

Anirban Mandal (M.Sc Physics 2016-2017)
Shivansh Kaushik (M.Sc Chemistry 2017-2018)
Richa Dobal (M.Sc Physics 2018-2019)
Mansi Porwal (M.Sc Chemistry 2019-2020)
Priya (M.Sc Chemistry 2019-2020)
Ananya Rana (M.Sc Chemistry 2020-2021)
Pradeep Yadav (M.Sc Chemistry 2020-2021)
Mrityunjay Jha (M.Sc Chemistry 2020-2021)
Amit Thakran (M.Sc Chemistry 2021-2022)
Divyansh Chaturvedi (M.Sc Chemistry 2021-2022)
Sahil Soni (M.Sc Chemistry 2022-2024)
Maynak Luniwal (M.Sc Chemistry 2022-2024)
Rakesh Gulshan (M.Sc Chemistry 2022-2024)
Sudip Gantait (M.Sc Chemistry 2023-2025)
Yashkant Baheti (M.Sc Chemistry 2023-2025)
Pritom Phukon (M.Sc Chemistry 2023-2025)

B.Tech Students

Rohan Mewada (B.Tech Materials Science and Engineering 2020)

Project Students

Amita Sihag (M.Sc Physics, Indian Institute of Technology Bombay) 2017-2019
Sangeet Dhiman (M.Sc Biosciences, Sri Sathya Sai Institute of Higher Learning) 2023-
Anjana Vijayan (M.Sc Chemistry, University of Hyderabad) 2023
Sahil Soni (M.Sc Chemistry, Indian Institute of Technology Gandhinagar) 2024 (Sabarmati Fellowship)

Page updated

Report abuse