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A Deep-learning Solution for the Schrödinger Equation

Posted on 2/9/21 in Research Articles

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 […]

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New Machine Learning Approach for Mean-Field Games

Posted on 8/3/20 in Research Articles

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 […]

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Accelerating Molecular Dynamics to Reach Unprecedented Simulation Times with Atomistic Accuracy

Posted on 9/6/18 in Research Articles

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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A Few Self-Driving Cars Can Dramatically Improve Traffic Flow

Posted on 4/27/18 in Research Articles

The presence of just a few autonomous vehicles can eliminate the stop-and-go driving of the human drivers in traffic. Under normal circumstances, human drivers naturally create stop-and-go traffic, even in the absence of bottlenecks, lane changes, merges or other disruptions. A small percentage of autonomous […]

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