Yogeshwaran Krishnan

I am a Postdoctoral Research Associate in Energy Storage and Conversion at the Technical University of Denmark, specializing in atomistic modeling for energy materials. My research interests include molecular dynamics (MD), density functional theory (DFT), ab initio molecular dynamics (AIMD), and machine learning. With a background in physics and materials science, I have experience with these techniques and their applications in energy materials and chemistry. My work focuses on catalysis, chemical dynamics, and gas storage.

Experience

Postdoctoral Research Associate at Technical University of Denmark (DTU) with Assoc. Prof. Heine A. Hansen

  • Led team in creating a CURATOR package that minimize the human effort to develop robust machine learning potential for interface materials
  • Explored the solid-liquid interface, particularly the interaction between gold and acetonitrile, utilizing machine learning potentials
  • Engaged with experimental scientists to investigate polymer degradation mechanisms using Density Functional Theory(DFT)
  • Collaborated with DTU scientists to investigate the ORR/OER reactions, advancing our understanding of energy materials
  • Utilized cutting-edge machine learning potentials to advance our understanding and development of energy materials

Doctor of Philosophy at University College Dublin with Prof. Niall J. English

  • Investigated Hydrogen production through water splitting for sustainable energy solutions
  • Collaborated with colleagues to explore interdisciplinary approaches in energy research
  • Conducted research on dye-sensitized solar cells to optimize photovoltaic performance
  • Explored hydrogen storage and release mechanisms to enhance gas storage
  • Mentored master’s and PhD students in conducting research projects

Research Fellow at Indian Institute of Technology Jodhpur with Prof. Mahesh Kumar

  • Utilized CVD and molecular-beam epitaxy techniques for the fabrication of gas-sensing devices
  • Analyzed the I-V characteristics of thin films to assess their electrical properties

Research Fellow at Indian Institute of Technology Jodhpur with Prof. Manikandan Paranjothy

  • Conducted a project on gas phase decomposition of protonated amino acids
  • Involved in Establishing and maintaining a computational lab (HPC, server)
  • Collaborated with colleagues to check the feasibility of drug discovery
  • Undertook a project on interstellar glycine formation
  • Guided master’s students in their research projects

Industrial Experience

  • Served as a sales and service engineer for research equipment, including AFM, electron lithography, and MEMS fabrication equipment
  • Assembled solar cells and small windmills for rooftops in small-scale industries and houses for sustainable energy
  • Worked as a Computer Numerical Control (CNC) operator to produce industrial hardware

Profile

  • Post Doctoral Researcher, Technical University of Denmark, Lyngby, Denmark (May 2024)
  • Ph.D., University College Dublin, Dublin, Ireland (March 2021)
  • Research Fellow, Indian Institute of Technology Jodhpur, Rajasthan, India (April 2018)
  • M.Sc. (Materials Science), PSG College of Technology, Coimbatore, Tamilnadu, India (May 2014)
  • B.Sc. (Physics), Sacred Heart College, Tirupattur, Tamilnadu, India (June 2012)

For a comprehensive overview of my academic and industrial experiences, please refer to my Curriculum Vitae.