Many modern technological challenges crucially depend on the properties of surfaces and interfaces. This includes the control of charge and energy transfer across electrode/electrolyte interfaces in ...

Machine learning interatomic potentials (MLIP) are a topic of very active research, promising to bring the high accuracy of electronic structure methods to large space and long time scales previously ...

Building fast and highly performant data science applications requires an intimate knowledge of how data can be organized in a computer and how to efficiently perform operations such as sorting, ...

In the rapidly advancing field of computational biology, a newly peer-reviewed review explores the transformative role of deep learning techniques in revolutionizing protein structure prediction. The ...