The software 'PyFRAP' is an accurate and reliable tool for the analysis of molecular movement, employing numerical simulations rather than simplified assumptions. Diffusion is the process that lets ...

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Siemens announces that it has signed an agreement to acquire Culgi, a computational chemistry software company with a focus on multiscale simulations in the process industries. Culgi will join Siemens ...

The Molecular Sciences Software Institute (MolSSI), based in Virginia Tech’s Corporate Research Center, has received a $15 million renewal grant from the National Science Foundation. The five-year ...

A University of Utah chemist will lead a new $3.5 million project to develop the next generation of computer simulation technology to study collections of molecules, including their chemical reactions ...

Although water’s shear viscosity is important in accurate molecular dynamics modeling, the results from two popular water models differ from those of actual experiments by as much as 20%. In a recent ...