Computer simulations in chemistry are a powerful way of understanding and optimizing chemical processes. But as the size of the system under consideration grows, so does the computational complexity ...

A large-scale array of 30,000 atoms, with a spacing of 0.5 micron, is controlled by an ultrafast laser that blinks for only 10 picoseconds. After irradiating an ultrafast laser pulse, large-scale ...

A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Nuclear materials, advanced reactors, materials chemistry, atomistic simulation, multi-scale modeling, machine learning, energy storage and conversion. My research group focuses on combining ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Latest release enables faster, more confident design decisions at scale with accelerated simulation, AI-powered, real-time feedback, and GPU-accelerated reduced order modeling "HyperWorks 2026 ...

Acquisition leverages Cadence’s computational software expertise into molecular modeling and simulation, focused on pharmaceutical and biotechnology drug discovery The addition of OpenEye’s ...