He obtained his Ph.D from Indian Institute of Science, Bangalore, India in 1991.
After a postdoc at the University of British Columbia, he joined IIT Kanpur in 1993.
Educational qualifications (Graduation onwards):
University of Burdwan, India
University of Burdwan, India
Indian Institute of Science, Bangalore
- Izaac Walton Killam Postdoctoral Fellowship, University of British Columbia, Canada, 1992-93
- Associate of Indian Academy of Sciences, Bangalore, 1994
- Young Scientist Medal of Indian National Science Academy, New Delhi, 1995
- Anil Kumar Bose Memorial Award of Indian National Science Academy, New Delhi, 1997
- Alexander-Von Humboldt Fellowship, Germany, 2002-2003
- Fellow of Indian Academy of Sciences, Bangalore, 2004
- Bronze medal from Chemical Research Society of India, 2006
- Ramanna Fellowship, DST, Government of India, 2006-2009, 2010-2013
- Shanti Swarup Bhatnagar Award, CSIR, Government of India, 2007
- Rahul and Namita Gautam Chair Professorship, 2008-2011
- Sajani Kumar Roy Memorial Chair Professorship, 2011-2014
- Fellow of Indian National Science Academy (FNA), 2013
- J. C. Bose National Fellowship, DST, Government of India, 2013-2018
- Silver medal of Chemical Research Society od India (CRSI),2015
- N. C. Nigam chair professor, IIT Kanpur, 2015-2018
- Fellow of National Academy of Sciences, India (FNASc), 2017
- J. C. Bose National Fellowship, DST, Government of India, 2018-2023
- JSPS Invitational Fellowship of the Japan Society for the Promotion of Science, 2022.
Major scientific fields of interest:
- Structure and dynamics of molecular solutions in bulk and confined systems
- Hydration structure and dynamics of charge defects in clusters and solutions
- Chemical reaction dynamics in condensed phases and in clusters
- Molecular properties of solid-liquid, liquid-liquid and liquid-vapour interfaces
- Structure and dynamics of supercooled and supercritical fluids
- Structure, dynamics and energetics of biological systems: Protein aggregation
- Reaction pathways and free energy landscapes of enzymatic reactions
- Theoretical vibrational spectroscopy: 2D-IR and Sum Frequency Generation Spectroscopy
- Computer simulations of clusters, surfaces, interfaces and bulk condensed phases using
classical and quantum methods.
Full list of publications
All-Atom Simulations of Human ACE2-Spike Protein RBD Complexes for SARS-CoV‑2 and Some of its Variants: Nature of Interactions and Free Energy Diagrams for Dissociation of the Protein Complexes
S. Dutta, B. Panthi, and A. Chandra, J. Phys. Chem. B
126, 5375-5389 (2022).
A QM/MM Simulation Study of Transamination Reaction at the Active Site of Aspartate Aminotransferase: Free Energy Landscape and Proton Transfer Pathways
S. Dutta Banik, A. Bankura, and A. Chandra,
J. Comp.. Chem. B 41, 2684-2694 (2020).
- Anisotropic structure and dynamics of the solvation shell of a benzene solute in liquid water from ab-initio molecular dynamics simulations
A. Choudhary, and A. Chandra, Phys. Chem. Chem. Phys.
18, 6132-6145 (2016).
- Ultrafast Vibrational Echo Spectroscopy of Liquid Water from First Principles Simulations
D. Ojha, and A. Chandra, J. Phys. Chem. B
119, 11215-11228 (2015).
- Dynamics of supercritical methanol of varying density from first principles simulations: Hydrogen bond fluctuations, vibrational spectral diffusion and orientational relaxation
Vivek K. Yadav, and A. Chandra, J. Chem. Phys.
138, 224501 (2013).
- Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton
D. Marx, A. Chandra,> and M. E. Tuckerman, Chem. Rev.
120, 2174 (2010).
- Vibrational spectral diffusion and hydrogen bond dynamics in heavy water from first principles
Bhabani S. Mallik,> A. Semparithi and A. Chandra, J. Phys. Chem. A
112, 5104 (2008).
- Connecting Solvation Shell Structure to Proton Transport Kinetics in Hydrogen--Bonded Networks via Population Correlation Functions
A. Chandra, M. Tuckerman and D. Marx, Phys. Rev. Lett.
99, 145901 (2007).
- Electron solvation in water-ammonia mixed
clusters: Structure, energetics and the nature of localization states of the excess
S. Pratihar and A. Chandra ,
J. Chem. Phys.
126, 234510 (2007).
- Creating Interfaces by Stretching the Solvents is Key to Metallic Ammonia Solutions
A. Chandra and D.Marx, Angewandte Chemie Intl. Ed., 46, 3676 (2007).
- Structure and Dynamics of OH- (aq)
M.E. Tuckerman, A. Chandra , D Marx, Accounts of Chemical Research , 39, 9719-9725 (2006).
- Effects of ion atmosphere on hydrogen-bond dynamics in aqueous electrolyte solutions
A. Chandra, Phys. Rev. Lett., 85, 768-771 (2000).