Applications are open for the i-CoMSE biomolecular molecular dynamics and modeling summer workshop. This workshop will provide an introduction to best-practices based training for setting up biomolecular simulations, calculating chemical potentials, solvation free energies, relative and absolute binding free energies of drug molecules to proteins, and enhanced sampling techniques for biomolecules. Visit https://www.i-comse.org/workshops/ for registration information.

Applications are now open for the i-CoMSE Mesoscale Modeling Summer Workshop at Mississippi State University. This workshop will provide an overview of mesoscale particle-based modeling techniques, including coarse-grained interactions, molecular dynamics, Brownian dynamics, and multiparticle collision dynamics. Visit https://www.i-comse.org/workshops/ for registration information.

A new NSF grant has helped to establish the Institute for Computational Molecular Science Education, which will help train the next generation of molecular scientists and engineers in the computational techniques such as molecular dynamics, Monte Carlo methods, data science and machine learning that are defining the future of the field. “Having the discipline-specific knowledge is important, but everything is pointing toward a future where being able to work with data, algorithms and artificial intelligence is going to be highly valued,” Rai said.