Toward generalized tensor algebra for ab initio quantum chemistry methods | Proceedings of the 6th ACM SIGPLAN International Workshop on Libraries, Languages and Compilers for Array Programming

The first of so many “nice shots” 🎾 Goolagong — Stream now on ABC iview: https://ab.co/Goolagong | ABC Perth

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Ab Initio Molecular Dynamics Simulations of the Hydration of Zwitterions

Prediction of Thermodynamic Properties of Ionic Liquids: Improved Performance From Ab Initio Molecular Dynamics