A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...

A new machine-learning based trick for modeling molecules could greatly improve density functional theory calculations.

The meeting will cover methodologies and applications of molecular simulations to a broad range of topics relevant to the pharmaceutical, energy and materials sectors for chemical applications; across ...

Rapid advances in applying artificial intelligence to simulations in physics and chemistry have some people questioning whether we will even need quantum computers at all. Tech companies have been ...

Researchers at Chalmers University in Sweden have used a quantum computer to simulate a chemical reaction. Quantum chemistry is often modelled using supercomputers, which apply the laws of quantum ...

Explore the fascinating world of 3D Bottle Simulation in this insightful video! Dive deep into the technology and techniques that bring virtual bottle designs to life. This video will guide you ...