Definition: Molecular Dynamics (MD) Simulations are a computer simulation technique used to study the physical movements of atoms and molecules. By simulating the interactions and dynamics of ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...

Computer simulations help materials scientists and biochemists study the motion of macromolecules, advancing the development of new drugs and sustainable materials. However, these simulations pose ...

Microsoft has added generative artificial intelligence and other enhanced features to its quantum-computing platform as part of a larger strategy to deliver the game-changing technology to a ...

Max Welling will lead the new Microsoft Research Amsterdam lab. Microsoft Research will open a new lab in Amsterdam led by Max Welling, a physicist who specializes in molecular simulation, looking ...

IBM researchers achieved better simulation of molecules that could be used to design new materials, without the need for more qubits.