Division of Chemistry

Neural network–augmented Pfaffian wave-functions for scalable simulations of interacting fermions

Developing accurate numerical methods for strongly interacting fermions is crucial for improving our understanding of various quantum many-body phenomena, especially unconventional superconductivity. Recently, neural quantum states have emerged as a promising approach for studyin...

Morphogenesis of bacterial colonies in liquid crystalline environments

Natural bacterial habitats are often complex fluids with viscoelastic and anisotropic responses to stress; for example, they can take the form of liquid crystals (LCs), with elongated microscopic constituents that collectively align while still retaining the ability to flow. Howe...

Stochastic tensor contraction for quantum chemistry

Many computational methods in ab initio quantum chemistry are formulated in terms of high-order tensor contractions, whose cost determines the size of system that can be studied. We introduce stochastic tensor contraction to perform such operations with greatly reduced cost, and...