Headshot portrait of Han Altae-Tran - Bio-X Undergraduate Fellow
2015 Undergraduate Summer Research Program Participant

Home Department: Physics and Math
Supported by: Bio-X
Mentor: Vijay Pande, Chemistry

Han is designing a statistical method for improving the accuracy of molecular simulation, a computational tool used extensively in drug design. By comparing simulations of known molecules to experimental results, he can modify the underlying physics governing the simulations to improve the accuracy of new simulations involving similar molecules. Because of the importance of water in drug binding, he plans to apply his method to improve simulations involving water.

Poster presented at the Stanford Bio-X Interdisciplinary Initiatives Symposium on August 26, 2015:

Applying Bayesian Model Averaging to the Optimization of Computational Water Models

Han Altae-Tran1,2,3, Lee-Ping Wang5, Vijay Pande4
[Departments of Mathematics1, Physics2, Electrical Engineering3, and Chemistry4 Stanford University; Department of Chemistry5, UC Davis]