Former group members of Prof Amalendu Chandra

      IIT Kanpur

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Former members


Dr Sajib Senapati, Ph.D
Thesis title :Structural and dynamical properties of dipolar liquids at
solid-liquid and membrane-liquid interfaces and in confined geometry (2000)

Present Address :Associate Professor, Department of Bio-technology. Indian Institute of Technology Madras, INDIA
Homepage:Sanjib's Homepage
E-mail: sanjibs[at]iitm.ac.in
Dr Snehasis Chowdhuri, Ph.D
Thesis title :Hydrogen bond properties and dynamics of molecular solutions at ambient and non-ambient conditions: A comparative study (2004)

Present Address :Associate Professor, Department of Chemistry, Indian Institute of Technology Bhubaneshwar, INDIA
Homepage:Snehasis's Homepage
E-mail: snehasis[at]iitbbs.ac.in
Dr Sandip Paul, Ph.D
Thesis title :Computer simulation studies of liquid-vapour interfaces of molecular Solutions (2005)

Present Address :Associate Professor, Department of Chemistry, Indian Institute of Technology Guwahati, INDIA
Homepage:Sandip's Homepage
E-mail: sandipp[at]iitg.ernet.in
Dr Bhabani Shankar Mallik, Ph.D
Thesis title :Hydrogen bond dynamics and vibrational spectral diffusion in aqueous systems under normal and supercritical conditions (2008)

Present Address :Associate Professor, Department of Chemistry, Indian Institute of Technology Hyderabad, INDIA

Homepage:Bhabani's Homepage
E-mail : bhabani[at]iith.ac.in

Dr Arindam Bankura, Ph.D
Thesis title :Proton transfer in water and water-ammonia clusters, chains, monolayers and solutions: ab initio molecular dynamics and combined quantum-classical simulation studies (2009)

Present Address :Assistant Professor, Department of Chemistry, Central University of South Bihar, Gaya, India
Homepage:Arindam's Homepage
E-mail : arindam@cusb.ac.in

Dr Subha Pratihar, Ph.D
Thesis title :Electron and lithium atom solvation in hydrogen bonded clusters and liquids: Quantum chemical calculations and finite temperature quantum simulations (2009)

Present Address :Postdoctoral Fellow, Department of Chemistry, Texas Tech university, Texas, USA
Homepage:Subha's Homepage
E-mail : subha.pratihar[at]ttu.edu

Dr Rini Gupta, Ph.D
Thesis title :Single particle and pair dynamics in hydrogen bonded mixed liquids of varying composition: Nonideality in dynamical behaviour and role of selective solvation (2010)

Present Address :Postdoctoral Fellow, Department of Chemistry, University of British Columbia, Vancover, Canada
Homepage:Rini's Homepage
E-mail : rini[at]chem.ubc.ca

Dr Malay Rana, Ph.D
Thesis title :Hydrogen bonded and simple dipolar fluids with immersed nanoscopic hydrophobic solutes: Solvent behaviour in the confined and interfacial regions from dynamical simulations (2010)

Present Address :Assistant Professor, Department of Chemical Sciences, IISER Berhampur, INDIA
Homepage:Malay's Homepage
E-mail : mrana@iiserbpr.ac.in

Dr Debashree Chakraborty, Ph.D
Thesis title :Voids, diffusion and spectral dynamics in hydrogen bonded liquids, supercritical fluids and interfaces (2011)

Present Address :Assistant Professor, Department of Chemistry, NITK, INDIA.
Homepage:Debashree's's Homepage
E-mail : debashree[at]nitk.edu.in

Dr Vivek Kumar Yadav, Ph.D
Thesis title :Dynamics of hydrogen bonded fluids under normal and supercritical conditions from ab initio simulations: Cases of methanol, ammonia and an aqueous solution (2013)

Present Address : Assistant Professor, University of Allahabad, U.P., India
Homepage:Vivek's Homepage
E-mail : vkyadav@allduniv.ac.in

Dr Anwesa Karmakar, Ph.D & Project Associate (postdoc)
Thesis title :Hydrogen Bonded Structure, Polarity And Dynamics Of Water And Aqueous Ionic Solutions From First Principles Simulations With A Dispersion Corrected Density Functional (2014)

Present Address :Postdoctoral Fellow, CEA France
Homepage:Anwesa's Home page
E-mail : anwesa.karmakar[at]cea.fr

Dr Jyoti Roy Choudhuri, Ph.D
Thesis title :Ab Initio Molecular Dynamics Studies Of Aqueous Solutions In Bulk Phase And Also At Liquid-Vapour and Liquid-Liquid Interfaces (2014)

Present Address :Assistant Professor, BMS Institue of Technology and Management, Bengaluru, India
Homepage:Jyoti's Home page
E-mail : jyotichemica@gmail.com

Dr Ashu Choudhary, Ph.D
Thesis title :Anisotropic Structure and Dynamics of Solvation Shells of Simple Aromatic Solutes in Sub- and Supercritical Water (2016)

Present Address :DST-Women Scientist A, Indian Institute of Technology Roorkee, Uttarakhand, India
E-mail : ashu.ch@sric.iitr.ac.in

Dr Deepak Ojha, Ph.D
Thesis title :Theroetical Studies Of Vibrational Echo Spectroscopy Of Aqueous Solutions From First Principles Simulations (2016)

Present Address :Postdoctoral Fellow, Department of Chemistry, University of Paderborn, Paderborn 33098 Germany

E-mail : deepak.ojha@upb.de

Dr Abhijit Kayal, Ph.D
Thesis title :Effects Of Hydrophobic Confinement And Surfaces On The Structure, Dynamics And Spectral Properties Of Water Through Classical And Ab Initio Simulations (2016)

Present Address :Scientist | Quantumzyme, Quantumzyme - catalyze your business, 110/8 1st Floor, Lal Bagh Main Rd, Krishnappa Layout, Bengaluru - 560027, Karnataka, India

E-mail : abhijit.kayal@quantumzyme.com

Dr Sushma Yadav, Ph.D
Thesis title :Anisotropic Solvation Structure And Dynamics Of Oxyanions In Aqueous Solutions And Their Passage Through Nanopores: The Cases Of Nitrate, Nitrite And Carbonate Ions And Their Salts With Metal Ions In Water (2017)

Present Address :National Postdoctoral Fellow, Indian Institute of Technology (BHU) Varanshi, Uttar Pradesh, India

E-mail : sushchem@gmail.com

Dr Bikramjit Sharma, Ph.D
Thesis title : AB Initio Molecular Dynamics Investigation of Polyoxyanions and A γ-Amino Acid In Water (2017)

Present Address :Postdoctoral Research Associate, Indian Institute Of Technology Kanpur, Uttar Pradesh, India

E-mail : bikrams@iitk.ac.in

Dr Kumari Soniya, Ph.D
Thesis title : Computational Studies of Catalytic Aspects of Fold Type I Pyridoxal 5'-Phosphate Dependent Enzymes in Aqueous Medium (2018)

Present Address :Scientist, Aganitha AI, 512T 1st floor, Road Number 29, Venkatagiri, Jubilee Hills, Hyderabad-500033, Telengana, India

E-mail :soniachhikara1991@gmail.com

Dr Banshi Das, Ph.D
Thesis title : AB Initio Theoretical Studies of Vibrational Sum-Frequency Generation and Two Dimensional Infrared Spectroscopy of Interfacial and Bulk Aqueous Solutions (2020)

Present Address :Research Associate, Lehrstuhl Fuer Theoretische Chemie, Ruhr University Bochum, Germany

E-mail : banshi.das@rub.de

Dr Nidhi Sorout, Ph.D
Thesis title : Computational Studies of the Secondary Structure of Amyloid-β Peptide in Aqueous Medium: An effort towards inhibition of Amyloid formation using Boron Nitride Nanoparticles and other Selected Solutes (2022)

Present Address :Postdoctoral Fellow, Saarland University, Saarbrücken, Germany

E-mail : nidhi.sorout@uni-saarland.de

Dr Deepika Sharma, Ph.D
Thesis title : Calculations of Terahertz Spectra of Aqueous Solutions of Alkali Halides, Guanidinium Chloride and Tetramethylammonium Chloride from Molecular Dynamics Simulations using Polarizable Models (2023)

Present Address :Research Associate, Indian Institute of Technology Bhilai, Chhattisgarh, India

E-mail : dgautam582@gmail.com

Dr Ravi Malik, Ph.D
Thesis title : Theoretical Studies of Two Dimensional Vibrational Spectroscopy of Bulk and Interfacial Aqueous Solutions and its Connections to the Underlying Structure and Dynamics (2024)

Present Address :Postdoctoral Fellow, Indian Institute of Technology Kanpur, Uttar Pradesh, India

E-mail : rmalik@iitk.ac.in

Dr Shreya Rastogi, Ph.D
Thesis title : Computational Studies of Catalytic Aspects of Ornithine Decarboxylase Enzyme in Aqueous Medium (2024)

Present Address :Postdoctoral Fellow, Institue for Integrated Cell-Material Sciences (iCeMS), Kyoto University, Japan

E-mail : shreya.rastogi.01@gmail.com

Dr Abhilash Chandra, Ph.D
Thesis title : Structure, Dynamics, and Vibrational Sum Frequency Generation Spectroscopy of Aqueous Solutions at Interfaces with Air, Alcohols and Lipids (2024)

Present Address :To be updated ...

E-mail : cabhi@iitk.ac.in

Dr Prashant Pandey, Ph.D
Thesis title : Molecular Dynamics Studies of the Mechanism and Kinetics of Evaporation of Water and Alcohols from Surface of Aqueous Solutions and Thin Water Layer on Graphene and Graphene Oxide (2025)

Present Address :To be updated..

E-mail : mail2pkpandey@gmail.com

Dr Himanshu Kumar Vishwakarma, Ph.D
Thesis title : Structure and Dynamics of Aqueous Solutions of Ions and Molecular Solutes using Polarizable Models: Insights from Calculations of Terahertz and Dielectric Spectra, and Hydrogen Bond Dynamics. (2026)

Present Address :Fare Fellow, Indian Institute of Technology Kanpur, Uttar Pradesh, India

E-mail : himkv@iitk.ac.in

Dr A. Semparithi, Senior Project Associate (postdoc)

April-August, 2007
Present Address : Senior System Scientist, IIIT, Hyderabad, INDIA
E-mail : parithi[at]gmail.com
Dr S. K. Shukla, Postdoctoral Fellow

July 2008-April 2014
Present Address : Lecturer in Physics, CIPET Bhubaneswar, India
E-mail : sandeepkphysics[at]gmail.com
Dr S. Dutta Banik, Postdoctoral Fellow

September 2012-October 2014
Present Address :Scientist | Quantumzyme, Quantumzyme - catalyze your business, 110/8 1st Floor, Lal Bagh Main Rd, Krishnappa Layout, Bengaluru - 560027, Karnataka, India
E-mail : siduba[at]kemi.dtu.dk
Dr Saheb Dutta, Postdoctoral Fellow

September 2018-March 2023
Present Address : Data Scientist, Pfizer Healthcare India Private Limited, Chennai, Tamil Nadu, India
E-mail : saheb.dutta1989@gmail.com
Dr Bhavana Panthi, Postdoctoral Fellow

January 2020-June 2024
Present Address : Assistant Professor(Contractual Basis), Delhi Pharmaceutical Sciences and Research University, New Delhi, India
E-mail : bhavana.niperh@gmail.com

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Last modified : April 11, 2026