I am delighted to announce that Weishi Wang has successfully defended his PhD thesis, “Basis Design for Electronic Structure and Beyond.” Weishi’s research sits at the intersection of quantum physics, quantum chemistry, and materials science, focusing on advancing electronic-structure computations through a systematic approach to basis-set design. He developed a flexible and differentiable framework for constructing and optimizing basis functions, enabling more accurate and efficient representations of electronic ground states. His work also led to the development of Quiqbox, an open-source library for custom basis-set design and numerical modeling, and introduced novel strategies for variational basis optimization and stability. Extending this philosophy further, he applied system-oriented design principles to machine-learning interatomic potentials, creating adaptive and efficient modeling workflows. We congratulate Weishi on this impressive body of work and wish them continued success in their future endeavors.
Dartmouth | Department of Physics and Astronomy