When solving machine learning problems, there is currently little automated support for easily experimenting with alternative statistical models or solution strategies. This is be...
Sooraj Bhat, Ashish Agarwal, Alexander Gray, Richa...
With the offer from cloud computing providers, scientists have the opportunity to utilize pay-as-you-go resources together with their own and shared resources. However, scientist...
High quality meshes are crucial for the solution of partial differential equations (PDEs) via the finite element method (or other PDE solvers). The accuracy of the PDE solution,...
We propose a nonequilibrium sampling method for computing free energy profiles along a given reaction coordinate. The method consists of two parts: a controlled Langevin sampler ...
Juan C. Latorre, Carsten Hartmann, Christof Sch&uu...