Dr. Rituparna Hazra – Assistant Professor | SR University

Dr. Rituparna Hazra

Dr. Rituparna Hazra

Assistant Professor, Assistant Dean of Alumni • Department of Computer Science & Artificial Intelligence

PhD from

Birla Institute of Technology and Science-Pilani, Hyderabad Campus

Years of Experience

7 Years

Web Pages

Contact Details

rituparna.hazra@sru.edu.in

Availability

I am a computational chemist with extensive expertise in molecular dynamics simulations of essential biomolecules, including lipids, polysaccharides, proteins, and medicinally significant small molecules, in the context of cardiovascular diseases. My proficiency extends to environmental engineering, especially in mitigating carbon emissions, where I have honed my skills in modeling and simulating nano-confinements and surfaces, complemented by a strong command of Quantum Mechanical and Docking studies. Beyond research, I am deeply passionate about writing scripts in various programming languages, leveraging computational power to advance scientific discovery, and interacting with young minds through teaching. With a vision to develop groundbreaking inventions that serve societal needs, I aspire to bridge chemistry, computation, and innovation to create meaningful scientific contributions.

Interests

Molecular Dynamics Rare-event Sampling Renewable Energy Climate Change Mitigation Enterpreneurship

Research Areas

Computational Modeling of Sustainable Materials for Climate Change Mitigation Statistical Thermodynamics Free Energy Methods

Student Supervision

Ph.D.: 16 ongoing B. Tech. projects: 2 ongoing

Ph.D. in Computational Chemistry

2024

Birla Institute of Technology and Science-Pilani, Hyderabad Campus

M.Sc. in Chemistry

2019

University of Hyderabad

B. Sc. in Chemistry

2017

University of Calcutta

Assistant Professor

2026-Present

SR University

Postdoctoral Research Scientist

2025-2026

Columbia University

Postdoctoral Research Associate

2023-2025

Cornell University

→ Data Center Operations and Infrastructure
→ Cloud Computing

Key Publications

Jia Y., Hazra R., Wu A., Patel S. M. and Gadikota G. (2025) Mechanisms underlying the freezing and melting behavior of water confined in silica nanopores. Physical Chemistry Chemical Physics, 27, 19465-19479. (DOI: https://doi.org/10.1039/d5cp02430g)
Mohammed S., Alsmaeil A.W., Asgar H., Ochonma P., Kouloumpis A., Jia Y., Hazra R., Kuzmenko I., Giannelis E.P. and Gadikota G. (2025) Directing the adsorption and assembly of laponite nano-discs at oil-water interfaces. Nanoscale Advances, 7(11), 3396-3405. (DOI: https://doi.org/10.1039/d5na00160a)
Mohammed S., Asgar H., Jia Y., Hazra R., Ochonma P., Benmore C.J. and Gadikota G. (2025) Elucidating molecular scale interactions underlying the freezing behavior of salt solutions in silica nanopores. Physical Chemistry Chemical Physics, 27(18), 9562-9572. (DOI: https://doi.org/10.1039/d4cp04622f)
Zheng R., Mohammed S., Jia Y., Hazra R. and Gadikota G. (2025) The effect of H2 occupancy modes in small and large cages of H2-tetrahydrofuran hydrates on the hydrates' stability and H2 storage capacity. Physical Chemistry Chemical Physics, 27(13), 6532-6545. (DOI: https://doi.org/10.1039/d4cp04820b)
Nethi S., Hazra R., Kumar Jagannathareddy D. and Roy D. (2025) Energetics of oligosaccharide adsorption on ionic liquid-clay composites. Chemistry: An Asian Journal, 20(3), e202400891. (DOI: https://doi.org/10.1002/asia.202400891)
Bandyopadhyay A., Hazra R., Roy D. and Bhattacharya A. (2024) HSA over BSA: Selective detection of human serum albumin via a naphtho[2,1-b]furan-based system. Chemistry: An Asian Journal, 19(5), e202301055. (DOI: https://doi.org/10.1002/asia.202301055)
Hazra R. and Roy D. (2023) Robustness of heteroaggregates involving hydrophobic cholesterol and its mimetics. Physical Chemistry Chemical Physics, 25(40), 27230-27243. (DOI: https://doi.org/10.1039/d3cp02174b)
Hazra R. and Roy D. (2023) Free energy landscape of wrapping of lipid nanocluster by polysaccharides. Biophysical Chemistry, 294, 106956 (cover article). (DOI: https://doi.org/10.1016/j.bpc.2023.106956)
Hazra R. and Roy D. (2023) Monosaccharide induced temporal delay in cholesterol self-aggregation. Journal of Biomolecular Structure and Dynamics, 41(8), 3205-3217. (DOI: https://doi.org/10.1080/07391102.2022.2048076)
Shukla A.K., Hazra R., Sharma P., Saha S.K., Roy D., Kulkarni O.P. and Bhattacharya A. (2022) Pyrrole-pyridine chelating motif on the beta-carboline skeleton: Selective Zn2+ sensing via inhibition of ESIPT. Dyes and Pigments, 202, 110238. (DOI: https://doi.org/10.1016/j.dyepig.2022.110238)
Penjarla T.R., Shukla A.K., Hazra R., Roy D., Kundarapu M., Dixit M. and Bhattacharya A. (2022) Copper acetate catalysed C-C bond formation en route to the synthesis of spiro indanedione cyclopropylpyrazolones. Organic & Biomolecular Chemistry, 20(18), 3779-3784. (DOI: https://doi.org/10.1039/d1ob02351a)
Hazra R. and Roy D. (2021) Distinctive weak interactions underlie diverse nucleation behavior of cholesterol derivatives. Journal of Physical Chemistry B, 125(2), 612-624. (DOI: https://doi.org/10.1021/acs.jpcb.0c08931)
Roy D. and Hazra R. (2020) Molecular dynamics simulation of cholesterol and cholesteryl hemisuccinate and analysis of their structural and dynamical properties. Proceedings of the International Conference on Drug Discovery (ICDD). (DOI: https://ssrn.com/abstract=3540865)

Research Projects/Patents

Microalgal Capture of Environmental Toxins

National Supercomputing Mission Computing access by CDAC-Pune

September 2026

Awards & Achievements

1

'Amazon Web Services' Computing Grant

AWS Computing grant worth USD 10,000 in collaboration with Prof. Greeshma Gadikota and Dr. Dhruvi Patel (Cornell University, USA)

2024

2

'Microsoft Azure' Computing Grant

MS Azure computing grant worth USD 15,000 in collaboration with Prof. Greeshma Gadikota and Dr. Dhruvi Patel (Cornell University, USA)

2024

3

Linus Pauling Budding Research Talent Award

Awarded by Department of Chemistry, BITS-Pilani Hyderabad Campus for excellent research performance

2021

4

DST-INSPIRE Junior Research Fellowship and Senior Research Fellowship

Awarded by Department of Science and Technology, Government of India

2020-2023

5

DST-INSPIRE Scholarship for Higher Education

Awarded by Department of Science and Technology, Government of India

2014-2019