Quantum calculations of molecular systems often require extraordinary amounts of computing power; these calculations are typically performed on the world's largest supercomputers to better ...

From integrated photonics to quantum information science, the ability to control light with electric fields—a phenomenon ...

Atomistic models are computational models that mimic the behaviour of a complex system by explicitly taking its smallest constituent parts into account. In materials science and chemistry ...

This important study uses advanced computational methods to elucidate how environmental dielectric properties influence the interaction strengths of tyrosine and phenylalanine in biomolecular ...