Dr. Aniruddha Chakraborty
Professor of Chemistry
School of Chemical Sciences, Indian Institute of Technology Mandi, Kamand, Himachal Pradesh, 175075, India.
Office:
Lab:
Apt: C11-F1 North Campus.
Also affiliated faculty member with the IKSMHA Centre (Indian Knowledge System and Mental Health Applications) & CHCI (Centre for Human- Computer Interaction) at the Institute.
Work Experience (21.5 years):
Professor: School of Chemical Sciences, Indian Institute of Technology Mandi, Himachal Pradesh, India, 2023 - till date ( 3.5 yrs.).
Associate Professor: School of Basic Sciences, Indian Institute of Technology Mandi, Himachal Pradesh, India, 2015 – 2023 (8 yrs.).
Assistant Professor: School of Basic Sciences, Indian Institute of Technology Mandi, Himachal Pradesh, India, 2010-15 (5 yrs.).
Post-Doctoral Research Associate: Guide: Prof. Michael E. Kellman, Institute of Theoretical Sciences & Department of Chemistry, University of Oregon, USA. 2005-09 (4.5 yrs.).
Research Associate: Guide: Prof. K. L. Sebastian, Condensed Matter Theory Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, India (0.5 yrs.).
Education (25.5 years):
PhD (Theoretical Chemistry): Guide: Prof. K. L. Sebastian, Department of Inorganic & Physical Chemistry, Indian Institute of Science, Bangalore, India, 1997-2004 (6.5 yrs.).
M.Sc. (Chemistry): Specialization in Physical Chemistry, University of Calcutta, India, 1995-97 (2 yrs.).
B.Sc. (Chemistry Honours): Other Subjects: Mathematics, Physics & Bengali, Vivekananda College, University of Calcutta, India, 1992-95 (3 yrs.).
Higher Secondary (Pure Science): Mathematics, Physics, Chemistry, Biology, English & Bengali, Barisha High School, West Bengal Board of Higher Secondary Education, India, 1990-92 (2 yrs.).
Secondary: Barisha High School, West Bengal Board of Secondary Education, India, 1984-90 (6 yrs.).
Primary: St. Elizabeth Girl's School, West Bengal Board of Secondary Education, India, 1980-84 (4 yrs.).
Kinder Garden: St. Elizabeth Girl's School, West Bengal Board of Secondary Education, India, 1979-80 (2 yrs.).
Research Achievements:
The standard model for irreversible chemical reactions in solution would be a particle executing a one-dimensional random walk on a harmonic potential, in the presence of a point sink, located at an arbitrary position. Very recently an exact analytical time domain solution to this model was proposed by us. This has been an unsolved problem for a long time and is of considerable importance as a model for chemical reactions in solution. We can solve problems beyond the point sink model as well.
The standard model for reversible chemical reactions in solution would be a particle executing a one-dimensional random walk on two potential wells in the presence of coupling between them. The exact Laplace domain solution of this model for the point-like coupling between two potentials was proposed by us. This is an interesting & very important work in this field. Very recently we have proposed an exact analytical time domain solution of this same model, which was so far considered to be analytically intractable.
Teaching Achievements:
More than 1800 lectures are given to ~2100 students of different areas of sciences & engineering with students’ average (over a total number of students) TCF 4.4/5.0.
A total of 40 courses were offered, this include theory courses, Laboratory courses as well as project-based courses.
Established B. Tech. Chemistry Laboratory in 2010, was the first fully functional teaching laboratory in IIT Mandi.
Experience in giving 84 lectures within two months (60 days) for two different courses with a very high TCF (above 4.0).
Taught English course (17 lectures) to B. Tech. first year students in the induction program. with excellent teaching feedback (2nd best: 8.5/10).
More than 150 online lectures are given in four different courses (three completely online and one partially online) with a very high TCF (above 4.0).
Able to attract almost 100% of students to attend all the lectures of any course.
Awards/Honours:
Teaching Honour Roll' award at the Institute's Teacher's Day Celebration, 2018 (IIT Mandi, Himachal Pradesh, India).
'Foundation Day’ award for excellence in Research at IIT Mandi, Himachal Pradesh, India 2016.
Invited by the Chair, Teaching & Learning Committee of IIT Mandi for giving a short speech on how to introduce a difficult topic to students at the Institute's Teacher's Day Celebration, 2016.
'Foundation Day’ award for excellence in Teaching at IIT Mandi, Himachal Pradesh, India 2013.
'Foundation Day’ award for excellence in Research & Teaching at IIT Mandi, Himachal Pradesh, India 2011.
Selected for IUPAC Young Chemist Award (Progm. B), by the Royal Society of Chemistry, UK, 2009.
Invited Lectures (2015-):
3rd Northwest Meeting on Spectroscopy, Structure and Dynamics at IIT Roorkee, Roorkee, India, 2019.
8th Asia-Pacific Conference of Theoretical and Computational Chemistry, IIT Bombay, Mumbai, India, 2017.
15th Theoretical Chemistry Symposium, University of Hyderabad, Hyderabad, India, 2016.
Recent Advances in Theoretical Chemistry, IISc., Bangalore, India, 2016.
Department of Chemical Sciences, IISER Mohali, Punjab, India, 2016.
Centre for Theoretical Studies, IIT Kharagpur, West Bengal, India, 2016.
Mentoring of Students:
Mentored many students (Chemistry, Physics, Biology, Mathematics & Engineering), at various levels and most of them have continued in theoretical research. All students are getting trained to do independent research work. Students (Bachelor, Master, and Ph.D.) are always the corresponding author of all the papers published, without any exception.
Number of students at Doctoral level: 6 ( all are close to thesis submission).
Total 35 students at the master’s level (thesis). Almost all have continued to do their PhD in theoretical work in well-reputed places in India/abroad.
Total 62 students at the bachelor’s & master’s level for internship or project work. Again, most have continued to do research in theoretical work.
Science Education:
Dr. Chakraborty delivered a tutorial talk in the 'National symposium on Nanobiotechnology' (5-th June 2012) at Indian Institute of Technology Mandi, Himachal Pradesh, India.
Dr. Chakraborty delivered a talk to School students (XI-XII) at DST- INSPIRE (Department of Science & Technology - Innovation in Science Pursuit for Inspired Research) Program (15 June 2013), at CSIR-Institute of Himalayan Bio-resource Technology, Palampur, Himachal Pradesh, India.
Dr. Chakraborty delivered a talk in DST- INSPIRE (Department of Science & Technology - Innovation in Science Pursuit for Inspired Research) Program (11-th July 2014), at Shoolini University, Himachal Pradesh, India.
Dr. Chakraborty delivered a talk at the Ishan Vikas & Student Trainng for Educational Program to Secondary School Students, (June 16, 2016) at Indian Institute of Technology Mandi, Himachal Pradesh, India.
Dr. Chakraborty delivered a talk at the STEP (Student Trainng for Educational Program) for High School Students, (June 14, 2017) at Indian Institute of Technology Mandi, Himachal Pradesh, India.
Dr. Chakraborty coordinated the first RSC-Salters' Chemistry Camp (3-6 July, 2017) in Himachal Pradesh, at IIT Mandi campus and gave inauguration speech.
Dr. Chakraborty delivered a talk at the STEP (Student Trainng for Educational Program) for High School Students, (June 12, 2018) at Indian Institute of Technology Mandi, Himachal Pradesh, India.
Dr. Chakraborty delivered a talk at the Vigyan Jyoti Programme (Department of Science & Technology project) for empowering Girls in STEM (Science, Technology, Engineering & Mathematics) to Secondary School Girl Students at Jawahar Navodaya Vidyalaya in Pandoh, Himachal Pradesh, India (11 March, 2023).
Dr. Chakraborty delivered a talk at the TTP (Teachers Trainng Program) for High School Teachers, (March 15, 2023) at Indian Institute of Technology Mandi, Himachal Pradesh, India.
Dr. Chakraborty delivered a talk at the TTP (Teachers Trainng Program) for High School Teachers, (October 28, 2023) at Indian Institute of Technology Mandi, Himachal Pradesh, India.
Dr. Chakraborty delivered a talk at the TTP (Teachers Trainng Program) for High School Teachers, (October 14, 2023) at Indian Institute of Technology Mandi, Himachal Pradesh, India.
Dr. Chakraborty delivered a talk at the CBP {Capacity Building Programme) for Post-Graduate Teachers working under SCRET on 5th-9th November 5, 2024) at Indian Institute of Technology Mandi, Himachal Pradesh, India.
Dr. Chakraborty delivered a talk at the CBP {Capacity Building Programme) for Post-Graduate Teachers working under SCRET on 5th-9th October 13, 2025) at Indian Institute of Technology Mandi, Himachal Pradesh, India.
Funded Projects:
Understanding vibrational dynamics of highly excited molecules, Seed Grant: funded by IIT Mandi, India, INR. 4,75000 (completed in July, 2015) - P.I..
Curve Crossing Problems with Arbitrary Coupling, funded by Council of Scientific & Industrial Research, New Delhi, India, INR. 7,54,400 (completed in July, 2022) - P.I..
Supramolecular high-energy compounds: synthesis, characterization & theoretical studies, funded by Defence Research Development Organisation, Chandigarh, India, INR. 34,00000 (completed in July, 2016) - Co-P.I..
Electron solvation by a layer of polar adsorbates - Realistic model, funded by Council of Scientific & Industrial Research, New Delhi, India, INR. 3,96,000 (completed in
July, 2023) - P. I..
Integration of digital olfaction with a mobile phone and television, funded by iHub & HCIF-IIT Mandi, India, INR 1,07,44800 (completed in March, 2026) - Co-P.I..
Teaching Courses:
Taught a variety of topics in science, engineering, and humanities at the High School, Bachelor's, Master's & Ph.D. level, for 16 years. Given below are the titles of the courses that have been taught:
'Preparatory Chemistry' course: for 10+2 level students.
B.S. Chemistry courses: Molecular Thermodynamics (elective), Physical Chemistry II (core).
M. Sc. Chemistry Core Courses: Group Theory - Spectroscopy, Advanced Quantum Chemistry, 'Reaction Dynamics, Kinetics & Catalysis', Computational Chemistry & Mathematics for Chemists.
B. Tech. Courses: English (core), Design Practicum (core), Fundamental Chemistry (core), Engineering Chemistry (core), Laboratory Chemistry (core), Molecular Thermodynamics (elective), Physics behind computer (elective), Molecular Spectroscopy (elective), Nanoscience (elective), Food Chemistry (elective) & Interdisciplinary Socio-Technical Practicum (core).
Ph.D. courses: Introduction to theoretical chemistry (elective), Research Methodology (core).
Other Achievements:
Dr. Chakraborty has joined IIT Mandi as the first permanent faculty member of the Institute (Joined on June 8, 2010).
First research paper from the Institute was published by Dr. Chakraborty in 2010 (Accepted in Mol. Phys. in September, 2010).
Dr. Chakraborty, as the chair of Institute's Core course interest group, reformulated B. Tech. curriculum by introducing appropriate baskets for different Institute Core Courses (2019).
M.Sc. in Chemistry was the first master's progm. (2014) in the Institute & Dr. Chakraborty, was the first course coordinator of that program
B. Tech. projects guided by Dr. Chakraborty* always won awards by the Institute in both the courses, "Design Practicum" & "Interactive Socio-Technical Practicum".
Other Responsibilities (2015 -):
Editorial Board Member, Sci. Rep., September, 2025 -.
Dean of Academics (April, 2023 - April 2025).
Chair, Senate Library Committee, IIT Mandi (2023 - 2025).
Member, Senate Library Committee, IIT Mandi (2022 - 2023).
Vice-chair (February, 2019 - September, 2020) of JEE Cell of IIT Mandi.
Member, School of Basic Sciences, IIT Mandi website committee (2018 - 2020).
Advisor of "Society for Collaborative Research & Innovation", IIT Mandi (2018 - 2021 ).
Chair, School Seminar Committee, School of Basic Sciences, IIT Mandi (2015-20).
Member, course interest group of I-Ph. D. & M.Sc. (Physics) Courses (2016 - 2020) of IIT Mandi.
Member, course interest group of B. Tech. core courses (2016-17) of IIT Mandi.
Member, course interest group of M. Sc. Chemistry progm. (2018 - 2020) of IIT Mandi.
Chair, course interest group of M. Sc. Chemistry Progm. (2015-18) of IIT Mandi.
Chair of Class Committee Meetings for B. Tech. 2nd year courses (2012-17) of IIT Mandi.
Member, Senate of IIT Mandi (2012--2020, 2021 - ).
Member, 'Board of Academics' (2015 - 2020, 2021 - ) of IIT Mandi.
Faculty Advisor of M. Sc., Chemistry (2016 - 18) batch of IIT Mandi.
Course Coordinator of Institute Core Courses (2017 - 2021) of IIT Mandi.
Course Coordinator of M. Sc., Chemistry (2015 - 18) – progm. of IIT Mandi.
Active Reviewer of Phys. Rev E, J. Phys. A, Chem. Phys. Lett., Physica Scripta, Chem. Phys., 'Chaos, Solitons & Fractals', J. Mol. Struc., Phys. Lett. A, Euro. Phys. J., Int. J. Quant. Chem., RSC Adv. & ChemistrySelect.
Chair, Institute Colloquium Committee of IIT Mandi (2010-2014 & 2023-2025).
Recent Publications (2021 -)
Confinement-induced formation of covalent ON bond and partial covalent SN bond in H₂O·NH₃ and H₂S·NH₃ dimers, V. Sharma* & A. Chakraborty, Comput. Theo. Chem., 1262, 115874 (2026).
Quantum monodromy in a cosmological mini-superspace, I. Ghorai, H. Soni*, A. Chakraborty & P. Ghose, Phys. Scr., 101, 225007 (2026).
Encapsulation effects on the structure and stability of EY₂ (E = C, Si, Ge & Y = O, S) in C₆₀, C₇₀, and C₈₀ fullerenes, V. Sharma* & A. Chakraborty, Theo. Chem. Acc., 145, 57 (2026).
Environmental Effects on Formic Acid Isomerization and Decomposition: A Computational Study of Fullerene Confinement, Water Catalysis, and External Electric Fields, V. Nagpal*, V. Sharma & A. Chakraborty, Struc. Chem. (2026) https://doi.org/10.1007/s11224-026-02765-x
Odor Classification: Exploring Feature Performance and Imbalanced Data Learning Techniques, D. Ameta*, L. Behera, A. Chakraborty, T. Sandhan, S. Kumar & R. Mishra, PLoS One, 20, e0322514 (2025).
Encapsulation effects on the structure and stability of O3, SO2, S2O, and S3 in C60, C70, and C80 fullerenes. V. Sharma*, V. Nagpal & A. Chakraborty, Comput. Theo. Chem., 1245, 115096 (2025).
Predicting odor from vibrational spectra: a data-driven approach. D. Ameta*, L. Behera, A. Chakraborty & T. Sandhan, Sci. Rep. 14, 20321 (2024).
Soliton solutions for a quantum particle in one-dimensional boxes, A. Jangid*, P. Devi, H. Soni & A. Chakraborty, Int. J. Theor. Phys. 63, 54 (2024).
Exploring the impact of a Moving Sink in a Reaction-Diffusion System: Exact Dynamics for Two Simple Potentials, C. Samanta* & A. Chakraborty, Pramana - Journal of Physics 97, 1 (2023).
Exact Diffusion-Reaction Dynamics for Two Different Confined Potentials in the Presence of a Perfect Trap, C. Samanta* & A. Chakraborty, Pramana - Journal of Physics 98, 1 (2023).
Reaction-diffusion dynamics in presense of two competing sink terms: Beyond Oster-Nishijima Model in barrierless reaction, C. Samanta* & A. Chakraborty, Physica A, 594, 127061 (2022).
Propagator calculations for time-dependent Dirac delta potentials and corresponding two state models, S. Mudra* & A. Chakraborty, Phys. Lett. A, 418, 127725 (2021).
Exact analytical solution of time-independent Schrodinger equation for a system consist of two flat potentials coupled by a rectangular potential, P. Mondal* & A. Chakraborty, Mol. Phys. 119, e1968055 (2021).
Exact results for the Schrödinger equation with moving localized potential, C. Samanta* & A. Chakraborty, Phys. Lett. A, 408, 127485 (2021).
Reaction-diffusion dynamics in an attractive stepwise-linear potential energy curve under the gaussian sink action, C. Samanta* & A. Chakraborty, Eur. Phys. J. Plus, 136, 1 (2021).
Diffusion-reaction approach to electronic relaxation in solution: Exact solution of Smoluchowski equation for parabolic potential in presence of a rectangular sink,
P. Mondal* & A. Chakraborty, Chem. Phys., 548, 111206 (2021).
Transition time estimation for δ-function coupling in two state problem: An analytically solvable model, M. Vashistha, C. Samanta* & A. Chakraborty, Chem. Phys. Lett., 770, 138436 (2021).
Diffusion on a flat potential with a rectangular sink of arbitrary width: Exact analytical solution in Laplace domain, P. Mondal* & A. Chakraborty, Physica A, 567, 125707 (2021).
Opening of a weak link of a closed-looped polymer immersed in solution. Analytical modelling using a Dirac delta function sink. M. Ganguly* & A. Chakraborty, Phys. Scr., 95, 015003 (2021).
Diffusion dynamics in the presence of two competing sinks: Analytical solution for Oster-Nishijima's model, R. Saravanan* & A. Chakraborty, Physica A, 563, 125317 (2021).
Pre-print of unpublished papers:
Understanding the fate of coronavirus transmission using a simple model. P. Mondal*, T. A. Gonsalves & A. Chakraborty (to be submitted) (2020) link.
Towards Boltzmann Distribution, A. Chakraborty* (to be submitted) (2015) link.
Effective Hamiltonian for two-electron Quantum Dots from weak to strong parabolic confinement, T. V. Zache* & A. Chakraborty (to be submitted) (2017) link.
Effective Thermal Diffusivity in Real Solid, A. Chakraborty* (to be submitted) (2015) link.
The Nearest Hermitian Inverse Eigenvalue Problem Solution with Respect to the 2-Norm, M. Padilla*, B. Kolbe & A. Chakraborty (to be submitted) (2017) link.
Effective Hamiltonian for doubly excited Helium states based on four dimensional Harmonic Oscillator, T. V. Zache* & A. Chakraborty (to be submitted) (2013) link.
Curve crossing induced dissociation : An analytically solvable model, A. Chakraborty* (to be submitted) (2011) link.
Available M. Tech. (Biotechnology) Projects
Analytical model for evaluating autism.
Mathematical model of understanding influenza.
Impact of large animal extinctions on nutrient fluxes.
Airborne contaminant transport in vehicles.
A model of fibrin gel formation.
Plant Nutrient uptake - an analytical model.
Modelling of ligand migration within the protein.
Reaction of neurotransmitters in a synaptic junction.
Force-induced rupture of bio macro-molecule.
A simple model for understanding electro-cardiograms.
Modelling mutation accumulation of cancer.
Molecular Adhesion: A biotechnological process.
Available Winter Projects (Dec-Jan. 2018)
Electron transfer reactions in a single protein molecule.
Tunnelling of a ring through another ring.
Divergence-free WKB method.
Surface-enhanced Raman scattering.
Peeling of a polymer from the surface.
Random walk under random potential.
Rotational motion of a proton crane.
Jahn-Teller Effect using quantum cellular automata.
Interaction between two rare gas atoms.
Available M. Sc. (Chemistry) Projects
Understanding Acetylene-vinylidene isomerization reaction.
Understanding the structure of carbon dots.
Understanding the bond formation of H-H molecule.
Fracture in carbon nanotubes.
Forster Resonance Energy Transfer in the long polymer chain.
A simple model for understanding fluorescence blinking.
New molecular knot.
Molecular wire sensor.
Understanding nano-elasticity.
Polymerization of actin monomers
Rectified Brownian motion and molecular motor.
The river within fluid dynamics of blood.
Available I-Ph.D. (Physics) Projects
Understanding Casimir effect using a simple model.
Dynamics of Bose-Einstein condensation.
Trapping of tethered random walkers.
Bent wire: New bound state.
Surface influenced vibrational spectra.
Ladder operator for bond dissociation process.
Photoelectric effect - effect of electron correlation.
Multi-state problems using quantum cellular Automata.
Adsorption & desorption of an atom.
Geometric phase effect on multi-channel scattering.
Available M.Sc. (Physics) Projects
Modeling intercellular communication.
Nuclear shell model with short-range interaction.
Analytical solution of Poisson-An equation.
Motion of electrons in DNA.
Modelling Mechanical unzipping of DNA.
Simple model of molecular ratchets.
Hawking Radiation & Sine-Gordon Soliton.
Threshold models for rainfall and convection.
Available B.Tech./M.Tech. (Engg.) Projects
Exact solution of moving load problem.
Modelling of contaminant transport in rivers.
Understanding water movement through fractured rock.
Viscosity coefficient for nano-fluid.
Groundwater depletion from a confining layer.
Modelling dynamics of railway sleeper.
Thermal diffusion in branched structures.
Brownian dynamics simulation of polymer looping.
Understanding stochastic ocean waves.
Buckling instability in a bio-polymer chain.
