Cambridge, Massachusetts, United States
Working at NVIDIA on algorithms and applications for quantum chemistry, including quantum computing algorithms for chemistry.
Managing portfolio of professional services projects in chemistry, materials, optimization and machine learning.
Working in the group of Prof. Head-Gordon. Studying dispersion interactions using highly accurate methods. Developed an analysis of 4-dimensional dispersion amplitudes from CCSD computations based on sequential Singular Value Decomposition, resulting in very efficient compressed representation of the original tensor. Implementation in C++ in a local version of Q-Chem electronic structure package. Designed and supervised 6-month Master thesis research project for exchange student.
Working in the group of Prof. David Sherrill on Symmetry-Adapted Perturbation Theory. Optimized disk-based Fock builder code in open-source electronic structure software Psi4 (www.psicode.org) resulting in order of magnitude speed-up for this algorithm. Full derivation of open-shell SAPT0 equations and implementation in Psi4. Supervised exchange student from Brazil conducting a research project in the lab for several months.