Dr. Aniruddha Chakraborty
Professor of Chemistry
School of Chemical Sciences,
Indian Institute of Technology Mandi, Kamand, Himachal Pradesh, 175075, India.
Office: Building - A11 in North Campus, Room No - A11.04.10.
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latest news:
Sachin Rautela
Mr. Sachin Rautela (M.Sc. Chemistry, 2021–2023) has joined Inha University, South Korea, as a Ph.D. student in the Department of Chemical Engineering. He will be working under Prof. Hyung Chul Ham in the Computational Catalysis and Nanomaterials Science Lab.Piyush Sharma
Mr. Piyush Sharma (M.Sc. Chemistry, 2021–2023), our lab member and classmate, has been selected for BARC (Bhabha Atomic Research Centre). He will be joining in the last week of this month.
Proma Mondal
Ms. Proma Mondal will be submitting her Ph.D. thesis on 7th October 2025. Her thesis focuses on analytical models in multi-state problems. She has developed a new mathematical method that solves a number of previously unsolvable problems.
Work Experience (20.5 years):
Professor: School of Chemical Sciences, Indian Institute of Technology Mandi, Himachal Pradesh, India, 2023-till date (2.5 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: Institute of Theoretical Sciences & Department of Chemistry, University of Oregon, USA. 2005-09 (4.5 yrs.).
Research Associate: Condensed Matter Theory Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, India (0.5 yrs.).
Education (25.5 years):
PhD (Theoretical Chemistry): 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): Vivekananda College, Kolkata, West Bengal, India, 1992-95 (3 yrs.).
Higher Secondary (Pure Science): Barisha High School, Kolkata, West Bengal, India, 1990-92 (2 yrs.).
Secondary: Barisha High School, Kolkata, West Bengal, India, 1984-90 (6 yrs.).
Primary: St. Elizabeth Girl's School, Kolkata, West Bengal, India, 1980-84 (4 yrs.).
Kinder Garden: St. Elizabeth Girl's School, Kolkata, West Bengal, 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 1400 lectures are given to ~1900 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, these 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. students in the induction program. with excellent teaching feedback (2nd best).
More than 150 online lectures are given in four different courses (three completely online and one partially online) with a very high TCF.
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 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: 10 (five have graduated and three more are doing thesis writing).
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.
One PhD student has joined as a post-doc under the legendary Professor Raphiel D. Levine at the Hebrew University of Jerusalem, Israel.
Science Education:
Dr. Chakraborty is very active in promoting science Education. This includes giving talks at various levels to students and writing articles at a level that can be understood by undergraduate and postgraduate students.
Theoretical chemistry is not a very popular subject in this region of the country. For making theoretical chemistry popular in Himachal Pradesh, Dr. Chakraborty has taken a large number of students from Himachal Pradesh for internships.
Dr. Chakraborty coordinated* the first RSC-Salters' Chemistry Camp in Himachal Pradesh and gave talks in several DST INSPIRE camps and other forums.
Externally Funded Projects:
Curve Crossing Problems with Arbitrary Coupling, Council of Scientific & Industrial Research, New Delhi, India, INR. 7,54,400 (completed in July, 2022).
Electron solvation by a layer of polar adsorbates - realistic model, Council of Scientific & Industrial Research, New Delhi, India, INR. 3,96,000 (completed in July, 2022).
Teaching Courses:
Taught Mathematics for chemists for Jan-June 2024. I will be teaching the same course coming semester as well.
Taught a variety of topics in science, engineering, and humanities at the Bachelor's, Master's & Ph.D. level, for 12 years. Given below are the titles of the courses that have been taught:
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.
Ph.D. courses: Introduction to theoretical chemistry (elective).
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 September, 2010).
Dr. Chakraborty, as the chair of Institute's Core course interest group, reformulated B. Tech. curriculum by introducing appropriate baskets for different IC courses (2019).
M.Sc. in Chemistry was the first master's progm. (2014) in the Institute and Dr. Chakraborty, as 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).
Member, Senate Library Committee, IIT Mandi (2022 - 2024).
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 - 2025 ) 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.
Recent Publications (2021 -)
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, e 0322514 (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, Computational and Theoretical Chemistry, 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 presence 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.
"Fundamental Research - only few can do & fewer can understand.
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