Hello everyone, welcome to my website.

I am Siby Thomas, currently an Teaching Assistant Professor in the Mechanical Engineering Department at the Colorado School of Mines (MINES). I joined MINES after working as an Adjunct Research Assistant Scientist in the Chemical Engineering Department at the University of Florida (08/2023–07/2024). I earned my Ph.D. in Physics from the National Institute of Technology Karnataka (NIT-K), India, in 2017. I have also held postdoctoral positions at Hanyang University, South Korea (10/2017–06/2019), the Colorado School of Mines (08/2019–07/2021), and the Technical University of Munich, Germany (08/2021–06/2023).

I am a computational materials scientist with a focus on materials for energy and sustainability. To achieve my research goals, I leverage my expertise in density functional theory (DFT) and ab initio molecular dynamics (AIMD), along with atomistic classical molecular dynamics (MD) simulations. Additionally, I employ machine learning (ML) approaches to train models using data obtained from high-throughput MD, DFT, and AIMD simulations, as well as experimental datasets, to provide a quantitative description of materials' properties.