More than 20% of the workload on the world's 500 fastest supercomputers is spent simulating how atoms and molecules move—with applications ranging from material design to identifying drug interactions ...

A new AI model has become so good at predicting how molecules evolve over time that, in the future, it could speed up the costly and time-consuming process of testing new drugs. In the long term, this ...

The TITO AI model learns to fast-forward in time at a faster rate than conventional numerical simulations, enabling researchers to characterise the physical properties of molecules more quickly. The ...

Clarkson University researchers have developed a new mathematical tool that could make artificial intelligence systems more ...

After the deal closes, expected in the fourth quarter of this year, Altaris plans to combine Simulations Plus with its existing portfolio company, Chemical Computing Group, which ...

Astronomers have long relied on supercomputers to simulate the immense structure of the Universe, but a new tool called Effort.jl is changing that. By mimicking the behavior of complex cosmological ...

Otaniemi Center for Atomic-scale Materials Modeling (OCAMM), hosted by the Department of Chemistry and Materials Science (CMAT). The positions to be filled are part of a new project funded by Business ...