Today, GPUs are widely available and pervasively utilized to accelerate all the major (and minor) molecular dynamics (MD) software applications.  An update on the status and performance of key MD applications, success stories and future trends in computing and visualization will be presented.  In addition, all the key quantum chemistry (QC) applications, whether molecular orbital-based, plane wave-based or density functional theory-based are either available today or being ported and optimized for delivery in the future.  Status and performance of some of the key QC codes, comments on how these applications are being accelerated and success stories will be covered.  Machine learning applications are rapidly becoming reality, hear about some new areas being impacted from trendsetting new applications of ML.<br/>

How GPUs are driving large-scale molecule modeling and machine learning (ML)

255th National Meeting (2018)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.