Yantao Xia is a PhD-level computational chemist and atomistic simulation specialist with 11 years of research and engineering experience, currently focused on machine learning–enhanced ab initio simulations of plasma–surface interactions. He builds high-dimensional neural network potentials and accelerated dynamics methods to enable large-scale, realistic-time molecular dynamics for plasma atomic layer etching and surface chemistry. His work spans academia and industry—from designing thermodynamic frameworks and mapping atomistic reaction pathways at UCLA to automating MD trajectory analysis at Schrödinger and deploying simulation-driven tools at TSMC. He also brings software engineering chops in C++, MATLAB, and web stacks, has led small teams, and uniquely couples cutting-edge ML potentials with practical process-scale applications.
11 years of coding experience
5 years of employment as a software developer
Bachelor of Science (B.S.), Chemical Engineering, Freshman, Bachelor of Science (B.S.), Chemical Engineering, Freshman at University of California, Los Angeles
High School, High School at Hangzhou No.2 High School of Zhejiang Province
Contributions:30 pushes, 2 branches in 1 year 6 months
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