Researchers at Duke University have uncovered the molecular inner workings of a material that could underpin next-generation ...

When a spider is spinning its web, its silk starts out as liquid and quickly turns into a solid that is, pound for pound, ...

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

Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...

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 ...

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 ...

A recent study highlights a groundbreaking development in foldable molecular paths within solid-state frameworks, illuminating their potential for dynamic pore control and transformative applications ...

Molecular dynamics is a method that uses Newton’s equations of motion to computationally simulate the time evolution of a set of interacting atoms. Such techniques are dependent on a description ...

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

"I think this is really exciting because it provides a roadmap for studying the structural dynamics of a variety of molecular complexes in cells," Lippincott-Schwartz says. More information: J. Peter ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...