Observables and Properties: Throughout the simulation, various physical properties such as temperature, pressure, energy, and structural data are calculated. These observables provide insights into ...

A research group has developed SPACIER, an advanced polymer material design tool that integrates machine learning with ...

A recent study carried out my a group from MIT has introduced MDGen, a generative modeling approach for molecular dynamics ...

DNA (deoxyribonucleic acid), the molecular "blueprint" carrying the genetic instructions that influence the growth, ...

Scientists based at the University of Oxford have developed a molecular flow sensor for lung function measurement. The collaboration, between chemists, physiologists, computer modellers and clinicians ...

Tim Duignan looks at how AI accelerated simulation will transform chemical engineering, freeing chemical engineers up to ...

Professor Kwang-Hyun Cho's research team of the Department of Bio and Brain Engineering at KAIST has captured the critical ...