Researchers at Wageningen University & Research (WUR) have defied long-standing material theories by developing ...

FEP calculations have had a revolutionary effect on computational chemistry. In conjunction with molecular dynamics and Monte Carlo simulations, they have enabled the calculation of free energy ...

Chemistry is a branch of science that involves the study of the composition, structure and properties of matter. Often known as the central science, it is a creative discipline chiefly concerned with ...

Physical chemistry is one of the traditional sub-disciplines of chemistry and is concerned with the application of the concepts and theories of physics to the analysis of the chemical properties and ...