Tushar K. Ghosh
PhD Thesis Title:
Ab Initio Molecular Dynamics Simulation of Catalytic Reactions by Rh/Al2O3 and Rh/TaON:
Water Splitting and CO Oxidation
Year Joined: July, 2009
Year Completed: December, 2014
Current Address: Post Doctoral Fellow in the group of Prof. Hannes Jonsson, Physical Sciences and Science Institute, University of Iceland, Iceland
Ravi Tripathi
PhD Thesis Title: Molecualr Mechanism of Antibiotic Resistance By Class-C and New Delhi
Metallo β-Lactamases: A QM/MM Molecular Dynamics Study
Year Joined: July, 2009
Year Completed: February, 2015
Current Address: Post Doctoral Fellow at the group of Prof. Dominik Marx, Lehrstuhl fuer Theoretical Chemistry, Ruhr-University Bochum, Germany
Venkataramana Imandi
PhD Thesis Title: Investigation of Mechanism and Kinetics of the Wacker Oxidation using ab Initio Molecular Dynamics
Year Joined: July, 2010
Year Completed: November, 2015
Current Address: Post Doctoral Fellow at IIT Madras, Chennai, India
Sudhir Kumar Sahoo
PhD Thesis Title: Development of CPMD/GULP QM/MM Interface for Modeling Solids
Year Joined: July, 2010
Year Completed: January 27, 2017
Current Address: Post Doctoral Fellow at the group of Prof. Kuehne, University of Paderborn, Germany
Shalini Awasthi
PhD Thesis Title: Exploring High Dimensional Free Energy Surfaces: Novel Methods and Applications
Year Joined: Dec, 2011
Year Completed: Dec 11, 2017
Current Address: -
Sooraj K.
PhD Thesis Title: Density Functional Theory and Microkinetic Modeling of Chemical Reactions
with Applications to Aerospace Industry, Biofuel Production and Synthetic Organic Chemistry
Year Joined: July, 2011
Year Completed: 2018
Current Address: INSPIRE faculty fellow, School of Chemistry IISER Thiruvananthapuram
Neha Vithani
PhD Thesis Title: A QM/MM Molecular Dynamics Study of Enzymatic Reactions in Hydrophobic Amino-acid Substituted
GTPases and Sugar Nucleotidyltransferases
Year Joined: July, 2012
Year Completed: June, 2018
Current Address: Post Doctoral Fellow at the group of Prof. Gregory R. Bowman, Washington University in St. Louis, USA
Chandan Kumar Das
PhD Thesis Title: Wlucidating the Catalytic Mechanism of B-Lactamase and Telomerase: A QM/MM Molecular Dynamics Study
Year Joined: July, 2012
Year Completed: October, 2018
Current Address: Post Doctoral Fellow at the group of Prof. Lars Schaefer, RUB, Bochum, Germany
Sagarmoy Mandal
PhD Thesis Title: Ab Initio Molecular Dynamics with Hybrid Density Functionals: Implementation and Application
Year Joined: July, 2014
Year Completed: November, 2020
Current Address: Post Doctoral Fellow at the group of Prof. Bernd Meyer, FAU Erlangen-Nuernberg, Germany
Post Docs.
Dr. Arun Kumar
Year: 2014-2015
Project Work: Modeling High Performance Polymer / Oxide Interface
Current Address: Assistant Professor in the Department of Physics, Central University of Haryana
Dr. Sudharshan Pandiyan
Year: 2012-2013
Project Work: Mechanical Properties of High Performance Polymers (HPP)
Current Address: -
