BioExcel is sponsoring this workshop held by CECAM (Centre Européen de Calcul Atomique et Moléculaire). It will be held from April 3 to April 5, 2017 at CECAM-HQ-EPFL, Lausanne, Switzerland.
We envision four themes as major topics of discussion:
1. Identify roadblocks limiting present success of atomistic modeling. Why do molecular simulations sometimes fail to give correct answers? How can these challenges be effectively communicated beyond the simulation community?
2. Share success stories and analyses thereof: What are key elements of successful modeling?
3. Address the technical language divide by clarifying common language for communities specializing in computational simulations and functional characterization.
4. Summarize and disseminate best practices and recommendations for future studies.
For more information, and to reigater for the conference, please visit the CECAM website.