About me
I am a quantum and materials chemist by training. My research interests include, but not limited to, quantum chemistry and molecular modeling of unconventional materials. I am also interested in expanding my research to the field of data-driven science. I humbly believe that the advances in computer simulations of science would change the way we live in the next few decades.
Experiences
I conduct fundamental research in the following fields of quantum chemistry:
- Large-scale and accurate quantum chemical simulations for challenging problems
- Data-driven chemisty with Machine learning
I developed and applied auxiliary-field quantum Monte Carlo to periodic solids of relevance to
- Energy storage
- Superconducting materials
I developed quantum chemical methods for solid-state materials
- Quantum embedding theories, for example, density matrix embedding
- 2D topological materials
- Beyond-silicon materials for photovoltaics (halide perovskite, double perovskite)
I applied quantum chemical and molecular simulation methods to framework materials
- Periodic density functional theory
- Monte Carlo simulation
- Metal-organic and covalent-organic frameworks
- Crystal topology analysis
Projects
I have been developing open-source library for computational materials and quantum chemistry
Publications
You can find my full list of publications in my Google Scholar Some selected papers: