In an era of medical care that is increasingly aiming at more targeted medication therapies, more individual therapies and ...

and Medicine will appoint a fifteenth committee of experts to review proposals for allocations of time to conduct molecular dynamics (MD) simulations of biological molecules using an Anton 3 computer ...

It is of primary interest to researchers and graduate students working in chemical and molecular physics requiring an overview of the subject as well as ideas for future experiments. 1. Charged ...

A novel machine learning framework accelerates the discovery of ionic thermoelectric materials, achieving precise Seebeck ...

Our understanding of the molecular dynamics of growing crystals is quite primitive, and it is generally not possible to explain why even simple crystals develop their characteristic shapes. A case in ...

Insights into molecular behaviour could unlock potential for organic light-emitting diodes and other bioimaging applications ...

Describing chemical and physical transformations of matter at the molecular level, this book comprehensively ... sets makes the book suitable to those studying chemical reaction dynamics, as well as a ...

New simulation methods reveal insights into the Earth's core and promise advances in neuromorphic computing for artificial ...

Excited state dynamics are essential for understanding fluorescence properties in molecules, impacting their application in ...

It seeks to explain biological function in terms of molecular structure, dynamics and organization, from single molecules to supramolecular structures. An integrated structural biology approach ...