Curriculum Vitae

Research Experience

  • PhD student at ICTP and SISSA, Trieste, Italy (Oct 2022 - present)
  • Master’s Thesis at ICTP, Trieste, “Developing computational methods for first-passage time analysis in soft-matter systems” (Apr 2022 - Oct 2022)
  • Research Intern at University of Jena (virtual - Covid 😢), “Computational methods to predict aggregate structures of organic dyes” (Oct 2020 - May 2021)
  • Research Intern at IACS, Kolkata, “Non-Equilibrium Statistical Mechanics and Stochastic Differential Equations” (Apr 2019 - Mar 2020)
  • Bachelor’s Thesis at St. Xavier’s College, Kolkata, “Perturbation Methods in Nonlinear Dynamics” (Sep 2018 - Mar 2019)
  • Research Intern at IACS, Kolkata, “Perturbation Theory and Nonlinear Dynamics” (Apr 2018 - Aug 2018)
  • Research Intern at St. Xavier’s College, Kolkata, “Developing graph-theoretical methods for the computation of chemical properties” (Aug 2017 - Nov 2017)

Skills

  • Programming Languages: C, C++, Python, Fortran, Julia, Bash
  • Machine Learning: PyTorch, Jax, DADApy, Scikit-Learn
  • MD simulations: GROMACS, Amber, Tinker
  • Electronic structure/NAMD: CP2K, ORCA, SHARC
  • Parallel programming: MPI, OpenMP
  • GPU computing: CUDA, OpenACC
  • Numerical Linear Algebra: MKL, BLAS, LAPACK, SCALAPACK, PLASMA, MAGMA, SLATE
  • Miscellaneous: LaTeX, Linux, Git

Education

  • PhD in Physics at ICTP and SISSA, Trieste (Oct 2022 - present)

    • Supervisors: Ali Hassanali (ICTP), Alessandro Laio (SISSA)
    • ERC Funded Fellowship on Hydrogen-bond Networks as Optical Probes (HyBOP)
    • Courses: Statistical Mechanics; Molecular Dynamics; Polymer Physics; Unsupervised Learning; Biochemistry; Physical Chemistry; Enhanced Sampling; RNA Structure Prediction; Machine Learning for Materials Science

  • Master of HPC at ICTP and SISSA, Trieste (Sep 2021 - Dec 2022)

    • Graduated “summa cum laude”
    • ICTP Scholarship recipient
    • Master’s Thesis (Supervisors: Prof. Edgar Roldan, Prof. Ali Hassanali, Prof. Ivan Girotto) - “Development of a computational toolbox to analyse first-passage times and diffusion coefficients in heterogeneous soft-matter systems”
    • Courses: Programming with C, Fortran, C++, Python; Parallel Programming - MPI, OpenMP, CUDA (GPU); Numerical Methods and Analysis; Numerical Linear Algebra; Linux HPC Cluster Management; Unsupervised Machine Learning; Supervised Machine Learning; Reinforcement Learning; Deep Learning; Natural Language Processing (NLP); Molecular Dynamics; Electronic Structure Theory; Advanced Optimization Techniques (for Intel CPUs); Parallel Fast Fourier Transform; Approximation and Interpolation of Functions

  • B.Sc. (Honours) at University of Calcutta (July 2016 - June 2019)

    • CGPA: 8.4
    • Graduated First Division with Honours
    • Subjects: Chemistry (major), Physics (minor), Mathematics (minor)
    • Bachelor’s Thesis (Supervisors: Dr. Rahul Sharma, Prof. Deb Shankar Ray) - “Application of classical perturbation methods in nonlinear dynamics and stochastic differential equations”

  • Grade XII - All India Senior School Certificate Examination of C.B.S.E. (2016)

    • Score: 93.2%
    • Subjects: Physics, Computer Science, Maths, Chemistry, English
    • School: Delhi Public School, Ruby Park, Kolkata
    • Board: Central Board of Secondary Education

  • Grade X - Madhyamik Examinations of W.B.B.S.E. (2014)

    • Score: 90.1%
    • Subjects: Physical Sciences, Mathematics, Life Science, Geography, History, English, Bengali
    • School: Ramakrishna Mission Vidyalaya, Narendrapur, Kolkata
    • Board: West Bengal Board of Secondary Education

Workshops and Conferences

  • ICTP workshop on “Computational Physics and Materials Science: Total Energy and Force Methods”, 2025
  • CECAM workshop on “Machine Learning Potentials: From Interfaces to Solution”, 2024
  • CECAM workshop on “L2M3: Large language models for materials, molecules and beyond”, 2024
  • CECAM workshop on “Machine Learning Interatomic Potentials: Theory and Practice”, 2023
  • ICTP workshop on “Frontiers in Excited State Electronic Structure Methods: from Spectroscopy to Photochemistry”, 2023
  • ICTP workshop on “Computational Physics: Total Energy and Force Methods”, 2023
  • ICTP workshop on “Non-Markovian Dynamics Far from Equilibrium”, 2022
  • EPFL-CECAM workshop on “Multiscale Molecular Dynamics with MiMiC”, 2022
  • National colloquium - Modern Research Trends in Chemistry (MRTC), 2019
  • National colloquium - Modern Trends in Microbiology (MTIM), 2018
  • National colloquium - Facets of Chemistry in Materials and Biology (FOCMB), 2018
  • Data Innovation Labs workshop - “Data Science and Machine Learning”, 2018
  • International colloquium - Facets of Chemistry in Biology (FOCB - II), 2017
  • National colloquium - Modern Trends in Microbiology (MTIM), 2017
  • National colloquium - Modern Trends in Microbiology (MTIM), 2016

Posters Presented

  • “Barrier Fluctuation and Stochastic Differential Equations”, Modern Research Trends in Chemistry (MRTC), 2019
  • “Protein Folding - A Nonlinear Dynamics Perspective”, Modern Trends in Microbiology (MTIM), 2018 - 2nd Prize
  • “Molecular Machines - Its Applications in Molecular Computers and Disulphide Bond Formation”, Facets of Chemistry in Materials and Biology (FOCMB), 2018 - 1st Prize