Research Bio
Quantum mechanics is accurate for materials and molecules, but it is prohibitively expensive for realistic systems. The Cheng Lab is interested in developing methods to extend the scope of atomistic simulations, in order to understand and predict materials properties that are hard to access. The group deploys and designs a combination of techniques encompassing machine learning, enhanced sampling, path-integral molecular dynamics, and free energy estimation. The systems of study include energy materials, aqueous systems, and matter under extreme conditions.
Research Expertise and Interest
theoretical chemistry, physical chemistry, polymers and nanoscience
Teaching
Introduction to Computational Chemistry [CHEM 121]
Seminars for Graduate Students [CHEM 298]
Research for Graduate Students [CHEM 299]
Professional Preparation: Supervised Teaching of Chemistry [CHEM 300]
Research for Advanced Undergraduates [CHEM H194]
Thermodynamics and Statistical Mechanics [CHEM 220A]
Seminars for Graduate Students [CHEM 298]
Research for Graduate Students [CHEM 299]
Professional Preparation: Supervised Teaching of Chemistry [CHEM 300]
Research for Advanced Undergraduates [CHEM H194]
Research for Advanced Undergraduates [CHEM H194]
Research for Advanced Undergraduates [CHEM H194]