Junchao Xia

I am a scientific developer at OpenEye, Cadence Molecular Sciences. I have both roles of scientific research and software development for most of my projects. I started my computational career on simulations of liquid materials and earthquake models in the context of condensed matter and statistical physics, but transferred to simulations of biomolecules such as carbohydrates, protein enzymes and protein-ligand complexes after obtaining a PhD in physics. I have long-term interests in research and software development in structural biology, computational chemistry, and biophysics, with the focuses listed as but not limited to: computational cryoEM, NMR calculations, enhanced sampling methods to explore structure and dynamics of biomolecules, as well as binding free energy calculations using homogeneous HPC clusters and heterogeneous distributed systems. This website only introduces my work in academia but not industry. At OpenEye, I am applying my expertises to projects more related to drug discovery.