The unique electronic, optical, and mechanical properties of 2D materials have recently sparked an extraordinary level of experimental, theoretical, and computational activity in the materials science and physics communities. Interest in the mathematics community has recently emerged to develop rigorous foundations, improved models, and computational […]
Solving the electronic Schrödinger equation is at the heart of computing and understanding in detail the physical and chemical properties of molecules and materials. They are of paramount importance for developing new drug molecules, biofuels or nanomaterials. Unfortunately the Schrödinger equation can only be solved […]
Mean field games are critical classes of multi-agent models for efficient analysis of massive populations of interacting agents with numerous applications ranging from economics to crowd motion. Their numerical solutions typically suffer from the curse of dimensionality. Numerical methods for mean field games were usually […]
Molecular dynamics (MD), the numerical integration of the equations of motions of atoms and molecules, is one of the most powerful tools available to materials scientists, chemists, and biologists, because it provides a fully resolved view of the spatio-temporal evolution of materials. Because of its […]
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