Molecular dynamics simulations are widely used to study molecules and materials and lots of effort is put into making these simulations obey the physical laws. Energy conservation law is obviously one of the most important laws that MD should respect. …
The themed collection and the editorial on Insightful machine learning for physical chemistry in finalized and published in PCCP
Check out the themed collection and our editorial on Insightful machine learning for physical chemistry in PCCP – it was a pleasure for me to guest edit it with Aurora Clark, Olexandr Isayev, and Isaac Tamblyn. Happy reading!