the BSM lab @ IIT Hyderabad
      

  • Principal Investigator


  • For prospective research students, who wish to join this vibrant group - If you have CSIR/UGC-JRF fellowship; you can join the group throughout the year.


  • Research scholars
    • Kishore Reddi [2024]
      MoE-JRF
      MSc: University of Hyderabad
      Area: Quantum computing and Machine learning
      Nicholas Thongbam [2023]
      MoE-JRF
      MSc: NIT Manipur
      Area: Machine Learning Models - Dynamics and Spectroscopy
      Pratik Nilaram Kalode [2023]
      CSIR-SRF
      MSc: Savitribai Phule Pune University
      Area: Electrocatalytic water splitting reactions
      Deewan Singh Teja [2022]
      CSIR-SRF
      MSc: Chaudhary Charan Singh University, UP
      Area: Nitrogen reduction reaction (NRR)
      Koushik Makhal [2022]
      PMRF
      MSc: IIT Delhi
      Area: Liquid Organic Hydrogen Carriers
      Surya Babu S [2021]
      MoE-SRF
      MTech: SRM Inst. Sc. and Techn.
      Area: Metal-CO2 battery
      Joint ID PhD program with
      Prof. C. S. Sharma
      Bibhuti Bhusan Behera [2021]
      MSc: Utkal University
      Area: Metal-O2 chemistry
      Ritesh Goutam Nayak [2020]
      MoE-SRF
      MSc: Central University of Karnataka
      Area: Electrolytes beyond Li-ion battery




  • Alumni

  • PhD
      8. Dr. Rachita Panigrahi [2020-2025]
      Thesis: Computational modeling of the structure and dynamics of cathode materials for metal-ion batteries
      Publication: 11


      7. Dr. Adyasa Priyadarsini [2018-2023]
      Thesis: Computational Catalytic Studies of Oxygen Evolution Reaction on Heterosurfaces
      Publication: 15
      Postdoc, Florida A&M University, USA


      6. Dr. Aritri Biswas [2017-2022]
      Thesis: Molecular Dynamics Simulation-guided Spectroscopy of Infrared Probes Assessing Structure and Dynamics of Ionic Liquids
      Publications: 17
      Present: Postdoc, University of Delaware, USA


      5. Dr. Thejus R. Kartha [2017-2021]
      Thesis: Structure and ion transport in electrolytes for energy storage devices from classical molecular dynamics simulations

      Publications: 7
      Present: Assistant Professor, Vijaybhoomi School Of Science, Maharashtra, India

      4. Dr. Koteswara Rao Gorantla [2016-2021]
      Thesis: First Principles Molecular Dynamics Studies of Mechanistic Insights into the Catalytic Oxygen Evolution Reactions

      Publications: 17
      Present: Postdoc, Michigan Technological University, USA

      3. Dr. Sathish Dasari [2016-2021]
      Thesis: Ionic Liquids as Alternative Solvents to Assess the Structure and Dynamics of Bio-relevant Molecules from Advanced Sampling Methods

      Publications: 10
      Present: Postdoc, University of Waterloo, Canada

      2. Dr. Dhileep N. Reddy [2015-2020]
      Thesis: Computer Simulations of Structure and Dynamics of Ionic Liquids and their Mixtures with Molecular Solvents

      Publications: 15
      Present: Designated Assistant Professor, Okayama University, Japan

      1. Dr. Sohag Biswas [2013-2017]
      Thesis: Computational study of structure, dynamics and spectral signature of water molecules around neutral and charged solutes

      Publications: 16
      Present: Postdoc, University of California, Riverside, USA