Dr. Tarak Karmakar

Associate Professor,

Department of Chemistry,

Yardi School of Artificial Intelligence (ScAI) (Associate)

Indian Institute of Technology Delhi

Academic profile:

2025-present: Associate Professor, IIT Delhi

2021-2025: Assistant professor at IIT Delhi, India

2020-2021: Postdoc at IIT Genova, Italy (Prof. Michele Parrinello)

2017-2020: Postdoc at ETH Zurich & USI, Lugano, Switzerland (Prof. Michele Parrinello)

2011-2016: Ph. D. at JNCASR, Bangalore, India (Prof. Sundaram Balasubramanian)

2009-2011: M. Sc. at IIT Kharagpur, West Bengal, India, (Prof. Srabani Taraphder)

2006-2009: B. Sc. Bankura Christian College, West Bengal, India

Contact details:

Department of Chemistry, Office: MS-708 (6th Floor)

Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India

E-mail: tkarmakar@chemistry.iitd.ac.in, tarakkchem@gmail.com

Phone (office): +91 11 2654 8549

Awards, honors, and fellowships:

Teaching Excellence Award from Indian Institute of Technology, Delhi 2023-24
Associate of the Indian Academy of Sciences, 2023 link
Early career board member in J. Chem. Info. Mod. (American Chemical Society) journal, 2023
Early Career Researcher Prize from Molecular Physics, 2022

Membership

Member of the Indian Biophysical Society (IBS)
Member of American Chemical Society (ACS)
Member of Society for Materials Chemistry (SMC), BARC, Mumbai, India

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GROUP MEMBERS

MS-810 (7th floor, main building) & MGGP (Gramodya Parisar), GPL 15

Ph. D. Students

Soumya Mondal

Ph. D. (July 2021 - present)

Email ID: cyz218385@chemistry.iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology, Palakkad, Kerala

B. Sc. (Chemistry): Calcutta University, West Bengal

Research topic: Biophysical Chemistry - nano-bio systems

Web:

Neha

Ph. D. (July 2021 - present)

Email ID: cyz218376@chemistry.iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology, Mandi, Himachal Pradesh

B. Sc. (Chemistry): H. P. University, Shimla, Himachal Pradesh

Research topic: Understanding order-disorder transitions using computer simulations

Web:

Nisha Kumari

Ph. D. (Jan 2022 - present)

Email ID: cyz218648@chemistry.iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology, Hyderabad, Telangana

B. Sc. (Chemistry): Ranchi University, Ranchi, Jharkhand

Research topic: Machine learning in biomolecular simulations

Web:

Vikas Tiwari

Ph. D. (April 2022 - present)

Email ID: cyz208667@chemistry.iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi

B. Sc. (Chemistry): B. K. Birla College, Kalyan, Mumbai

Research topic: Modelling Nano-biosystems, Catalysis, & Chemical reactions

Web: Personal webpage

Dhananjay

Ph. D. (July 2022 - present)

Email ID: cyz228301@chemistry.iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology, Hyderabad, Telangana

B. Sc. (Chemistry): C. M. Sc. College, LN Mithila University, Darbhanga, Bihar.

Research topic: Machine learning in soft condensed matter systems

Web: https://sites.google.com/view/djaychem

Anmol

Ph. D. (Jan 2023 - present)

Email ID: cyz228613@chemistry.iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi

B. Sc. (Chemistry): Rajdhani College, University of Delhi

Research topic: Modelling Chemical Reactions

Web: https://web.iitd.ac.in/~cyz228613/

Shilpi Singh

Ph. D. (Jan 2023 - present)

(Jointly with Prof. Tanmay Dutta)

Email ID: cyz228622@chemistry.iitd.ac.in

M. Sc. (Biotechnology): Indian Institute of Technology, Roorkee, Uttarakhand

B. Sc. (Chemistry): Aligarh Muslim University, UP

Research topic: Protein-RNA interactions, medicinal biochemistry

Web:

Dinesh Kumar G

Ph. D. (Jan 2023 - present)

(Jointly with Prof. Janakiram Vaitla)

Email ID: cyz218369@chemistry.iitd.ac.in

M. Sc. (Chemistry): PSG College of Arts and Science, Tamilnadu

B. Sc. (Chemistry): Government arts college, Karur, Tamilnadu

Research topic: Understanding Chemical Reactions using state-of-the-art experimental and simulations techniques

Web:

Rishu

Ph. D. (Jan 2024 - present)

Email ID: cyz238626@chemistry.iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology Madras

B. Sc. (Chemistry): Midnapore college, west bengal

Research topic:

Sonam Dhull

Ph. D. (Jan 2025 - present)

Email ID: cyz248635@chemistry.iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi

B. Sc. (Chemistry): Miranda House, University of Delhi

Research topic:

Animesh Karmakar

Ph. D. (Jul 2025 - present)

Email ID: cyz258380@iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi

B. Sc. (Chemistry): Midnapore College, West Bengal

Research topic:

Masters Students (M. Sc.)

Nishtha

Masters project (2025-26)

Email ID: nishthasharma12233@gmail.com

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi

B. Sc. (Chemistry): Hindu college, University of Delhi

Research topic:

Sachin

Masters project (2025-26)

Email ID: cys247030@iitd.ac.in

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi

B. Sc. (Life sciences): Kirori mal college, University of Delhi

Research topic:

Project Students (UG & PG)

Joytika Kaur

Summer Research Fellow under IASc-INSA-NASI (May 2024- July 2024)

BSc (Research): Shiv Nadar Institute of Eminence, Greater Noida, Uttar Pradesh

Vansh Ramani

B. Tech (Chem. Engg.): Indian Institute of Technology, Delhi, New Delhi

1st yr. winter internship (Dec23 - Jan24)

Summer projects

Kriti

B. Tech (Elect. Engg): Indian Institute of Technology, Delhi, New Delhi

SURA2024 (ongoing)

Soumil

B. Tech (Comput. Sci. Engg): Indian Institute of Technology, Delhi, New Delhi

SURA2024 (ongoing)

Undergraduate Students (B. Tech.)

Subham Yadav

B. Tech (Mech. Engg.): Indian Institute of Technology, Delhi, New Delhi

SURA2023 Awarded: Machine Learning methods for studying molecular conformations.

Akshatt Sethia

B. Tech (Mech. Engg.): Indian Institute of Technology, Delhi, New Delhi

SURA2023 Awarded: Machine Learning methods for studying molecular conformations.

Abhinav Singh

B. Tech (Comput. Sci. Engg): Indian Institute of Technology, Delhi, New Delhi

SURA2023 Awarded: Modelling Crystallization using Machine Learning augmented Simulations

Harshit K Gautam

B. Tech (Comput. Sci. Engg): Indian Institute of Technology, Delhi, New Delhi

SURA2023 Awarded: Modelling Crystallization using Machine Learning augmented Simulations

Alumni

Animesh Karmakar

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2024-2025)

Tanish Tyagi

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2024-2025)

Current position: Ph. D. at Vant hoff institute of molecular science , university of Amsterdam

Neha Yadav

M. Tech. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2024-2025)

Manya Aggarwal

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2023-2024)

Current position: Ph. D. at Nanyang Technological University (NTU), Singapore.

Sonam Dhull

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2023-2024)

Anushna Bhattacharya

M. Tech. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2023-2024)

Tarunesh Gaur

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2022-2023)

Sonali Garg

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2022-2023)

Current position: Ph. D. at Karlsruhe Institute of Technology (KIT), Germany

Aashish Gupta

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2020-2022)

Ambikesh Maurya

M. Sc. (Chemistry): Indian Institute of Technology, Delhi, New Delhi, (2020-2022)

Kiran Yadav

KARYA Fellowship, DST Rajasthan (Sept 2021 - Nov 2021)

M. Sc. NIT Agartala, Tripura