Dr. Debdip Bhandary
SCoPE Lab
Soft & Condensed Matter Process Engineering Lab
We use natural and Artificial Intelligence (AI) to model different molecules using hard-to-soft spheres. We create a virtual stage where these molecules dance in a molecular symphony, moving around (MD/MC/DPD/QM) to uncover their evolution with time and space and teach the machines (ML) to learn. The principles of statistical mechanics are used to calculate the properties of the species from their positions and forces to encounter and understand the problems in nano-science and engineering.
We complement the outcomes with experiments and continuum scale understanding in our Interfacial Science & Engineering (ISE), a multi-department research group.
Address:
SCoPE Lab, Room no - 222, Department of Chemical Engineering & Technology, IIT (BHU) Varanasi; Phone: 0542-716-5973.
Members
National Post-Doctoral Fellow:
Dr Sushma Yadav
Ph. D., IIT Kanpur
Research interest: Next-gen Energy Devices
Research Scholars:
Akanksha Soni
B. Tech., Chemical Engineering, Mahatma Jyotiba Phule Rohilkhand University, Bareilly
M. Tech., Chemical Engineering, MNNIT Prayagraj
Research interest: Understanding polymers' response behaviour and developing a multi-responsive polymer material
Mona Vishwakarma
B. Tech., Petrochemical Engineering, Rajiv Gandhi Proudyogiki Vishwavidyalaya, Bhopal
M. Tech., Chemical Engineering, MNNIT Prayagraj
Research interest: Development of a new route to prepare Poly-elemental Nanoparticles
Prateek Chowdhury (Co-supervision with Dr Abir Ghosh)
B. Tech., Chemical Engineering, Heritage Institute of Technology, Kolkata, WBUT
M. Tech., Chemical Engineering, IIT (BHU) Varanasi
Research interest: Unfolding the dynamics of liquid crystals
M. Tech. Students:
Amit Kumar Gautam (2023)
B. E., Chemical Engineering,
Research interest:
Shivani Gupta (2023)
B. Tech., Chemical Engineering
Research interest:
Niraj Kaushikbhai Laladiya (2024)
B. E., Chemical Engineering
Research interest:
Abhay Lalitbhai Jasani (2024)
B. E., Chemical Engineering
Research interest:
B. Tech. Students:
Umang Agarwal, Aditya Singhal, Sanjana Dutta
7th Semester undergraduate in Chemical Engineering, IIT (BHU) Varanasi
Research interest: ML-driven Alloy design
Mayankraj, Amrit Raj
7th Semester undergraduate in Chemical Engineering, IIT (BHU) Varanasi
Research interest: Modelling water splitting and hydrogen production
Interns:
Anuj Patel
5th Semester undergraduate in Chemical Engineering, HBTU, Kanpur
Research interest: Responsive materials for drug delivery applications
Amartya Sam
M.Sc. in Chemistry, Burdwan University
Research interest: Hairy Nano-particles and their multi-functionality
Position Opening
We are looking for motivated personnel eager to devote themself to the journey of science and technology. However, no funded position is available at present. Motivated students and doctorates with fellowship are welcome to begin another fascinating journey. Send a communication note to debdip.che@iitbhu.ac.in with your updated CV and a brief research statement.
Alums
Gauri Garg (M. Tech., June 2021)
Study of Model Polymer Chains using Molecular Dynamics Simulations; July 2021
Prateek Chowdhury (M. Tech., June 2022)
Interfacial and Cargo-carrier Behaviors of Amphiphiles; July 2022
Solanki Chiragkumar (M. Tech., June 2023)
A Molecular Insight into the Positive Electrode Materials for Sodium-Ion Batteries; July 2023
Deepanshu Bagwan (M. Tech., June 2023)
Structure and Dynamics of Polymer Tethered Nanocomposites in Bulk and Interfaces; July 2023
Priyanka Ghosh (Junior Research Fellow, December 2023)
Quantification of solvent behaviour; December 2023
Mahesh (M. Tech., June 2024)
Interfacial Behaviour of Hairy Nanoparticle Droplets on Atomically Smooth to Physically Patterned Rough Surfaces; July 2024
Shweta Kumari Nathani(M. Tech., June 2024)
Molecular Dynamics Study of the Positive Electrode Materials for Sodium-Ion Batteries; July 2024
Ayush Jha(B. Tech., June 2024)
Electric Field Induced Instabilities in Nano-water-droplets; May 2024
Research Interests :
- Interfacial Science & Engineering
- Soft and Active Matters
- Protein folding, Drug Delivery
- Polymer Dynamics and Phase Evolution
- Multi-scale modeling of micro to nano-scale processes
- Molecular and ab initio simulation Methodologies
Computation Tools:
LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator), GROMACS, Quantum ESPRESSO
Computation Facility:
- 2 x GPU workstations (Intel Xeon - 32 cores, 16 GB Nvidia RTX 5000, 128 GB DDR4 RAM)
- 2 x CPU workstations (Intel Xeon - 48 Cores, 5 GB Nvidia P4000, 192 GB DDR4 RAM )
- Param Shivay Supercomputer @IIT (BHU) Varanasi: 837 TeraFLop (192 CPU nodes, 20 high-memory CPUs, 11 GPUs)
Research Funding:
- Start-up Research Grant (SRG) by Science & Engineering Research Board (SERB), Government of India, December 2021
- Institute Seed Grant by IIT (BHU) Varanasi, October 2019
Position opening:
No funded position is available at present.
Motivated students and Doctorates with a fellowship are welcome to be part of the shindig here.
update: July, 23
Publications:
Controlled Released Dynamics of Methotrexate from Chitosan-based Capsules: A Detailed Energy Landscape Analysis
Mona Vishwakarma, Debdip Bhandary*; Colloids and Surfaces A: Physicochemical and Engineering Aspects, 703 (2024) 135403.
Micelle-mediated Growth of Gold Nanocrystals on a Surface
Mona Vishwakarma, Debdip Bhandary*; Computational Materials Science, 2024, 247, 113147
Solution Critical Temperature through Excess-entropy-Diffusivity Lens
Akanksha Soni, Debdip Bhandary*; Journal of Molecular Liquids, 2024, 394, 123785.
Influence of Temperature-Guided SAM Growth on Wetting and Its Mass Transfer Models
Prateek Chowdhury, Ayush Jha, and Debdip Bhandary*, Journal of Physical Chemistry B, 2023, 127, 38, 8208–8215
Evolution, Stability, and Applicability of Surfactant Aggregates in Targeted Delivery
Prateek Chowdhury and Debdip Bhandary*, Journal of Physical Chemistry B, 2023, 127, 13, 3001–3009
Presentations:
- Solution Critical Temperature through Excess-Entropy-Diffusivity Lens, Akanksha Soni, Debdip Bhandary, IIChE CHEMCON 2023, Heritage Institute of Technology, Kolkata, December 27-30, 2023.
- Electrodynamic Instabilities in Levitated Droplets: A Molecular Insight, Prateek Chowdhury, Ayush Jha, Debdip Bhandary, IIChE CHEMCON 2023, Heritage Institute of Technology, Kolkata, December 27-30, 2023.
- Understanding Critical Solution Temperature through Excess-entropy- DIffusivity Lens: A Molecular Dynamics Study, Debdip Bhandary, AMMM-2023, Bhabha Atomic Research Centre, December 11-14, 2023.
- Critical Solution Temperature through Excess-entropy- DIffusivity Lens, Debdip Bhandary, Soft-Matter Young Investigators Meet [SMYIM-2023], Jim Corbett National Park, Rampur, Uttarakhand, June 12-14, 2023
- Discharge Landscape of Methotrexate from Chitosan-based Capsules, Mona Vishwakarma, R. Verma, M. Kumar, D. Bhandary; International Conference on Complex Fluids and Soft Matter (CompFlu-2022), IIT Kharagpur, India, December 19 - 21, 2022 (Poster).
- Entropy Scaling to Characterize the Responsive Behaviour of PNIPAm, Akanksha Soni, Priyanka Ghosh, Sakshi Alegaonkar, and Debdip Bhandary; International Conference on Complex Fluids and Soft Matter (CompFlu-2022), IIT Kharagpur, India, December 19 - 21, 2022 (Poster)
- Self-assembly driven ripening of nanocrystals, Mona Vishwakarma, D. Bhandary; Sustainability, Department of Chemical Engineering, University College of Science & Technology (Rajabazar Science College), University of Calcutta, Kolkata, 18-21st December, 2022.
- Self-assembly driven ripening of nanocrystals, Mona Vishwakarma, D. Bhandary; ME@75 Research Frontiers Conference, Department of Mechanical Engineering, Indian Institute of Science, Bangalore, 29th June – 1st July 2022.
- Can surfactants be used for drug delivery: A molecular dynamics study; Prateek Chowdhury, D. Bhandary, ME@75 Research Frontiers Conference, Department of Mechanical Engineering, Indian Institute of Science, Bangalore, 29th June – 1st July 2022.
Subjects Taught:
CHE532: Molecular Simulations
ODD Semester: 2024-25
CHE519: Mathematical Methods in Chemical Engineering
ODD Semester: 2023-24
CHE204: Mass Transfer Operations I
Even semester: 2021-22, 2022-23, 2023-24
CHO102: Fluid Mechanics
Odd semester: 2019-20, 2020-21, 2021-22, 2022-23, 2023-24
CHE211: Equipment Design
Even semester: 2019-20, 2020-21
Upcoming course:
Advance Chemical Engineering Thermodynamics
Ph. D. Opening
Ph. D. positions are available for CSIR/UGS NET-qualified doctorate aspirants, DST-Inspired fellows, DBT fellows, and other fellowship holders. Interested candidates should be ready to work with another department. Any topic aligned with the research interest of the group would be highly encouraging.
Academic backgrounds expected include Chemistry, Physics, Biochemistry, Biotechnology, Materials Science, and Polymer Science.
Position Opening
We are looking for motivated personnel eager to devote themself to the journey of science and technology. Motivated students and doctorates with fellowship are welcome to begin another fascinating journey. Send a communication note to debdip.che@iitbhu.ac.in with your updated CV and a brief research statement. Here is a list of fellowships that students can avail of:
- Prime Minister Fellowship for Doctoral Research
- CSIR-UGC JRF NET Fellowship
- DST INSPIRE Fellowship
- Moulana Azad National Fellowship
- Savitribai Jyotirao Phule Fellowship for Single Girl Child
Brief Academic profile
Ph.D., Department of Chemical Engineering, Indian Institute of Technology Kanpur
M. Tech., Department of Chemical Engineering, Indian Institute of Technology Kanpur
B. Tech., Department of Chemical Engineering, University College of Science & Technology, Calcutta University
B. Sc. (Hons.), Department of Chemistry, Scottish Church College, Calcutta University
Experiences
Assistant Professor
Department of Chemical Engineering & Technology, IIT (BHU) Varanasi (June 2019 - till date)
Senior Project Scientist
High-Performance Computing Facility, IIT Kanpur
Research Associate
Laboratory of Thermodynamics, Department of Mechanical and Process Engineering, Technical University of Kaiserslautern, Germany