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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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An example of application of Accelerated Dynamics methods to biological system, to study small ligand migration within the internal network of myoglobin. Typical transition times between cavities range from 1 to 100 nanoseconds. Here, a carbon monoxyde molecule is in the DP cavity, and other cavities are represented.

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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Identifying Links Between the S&P500 and VIX Derivatives

Posted on 4/5/16 in Research Articles

By Andrew Papanicolaou The technique of volatility trading has been common practice since the 1970′s. Typically, a long (short) position in volatility included a long (short) position in options. In 2003 there came a more standardized way of trading volatility, as the VIX formula became […]

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Overcoming the Curse of Dimensionality for Control Theory

Posted on 10/30/15 in Research Articles

Optimal control problems lead to Hamilton-Jacobi Bellman (HJB) differential equations in many space variables for finding the cost function to be optimized. This beautiful connection has not generally led to effective numerical methods because grid based solutions of partial differential equations in n variables generally […]

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