More than a hundred experts in molecular simulation have published a paper ... with distributed nodes and shared access tools—could make this planet-scale archive feasible.

A team led by Kenneth Merz, Ph.D., Staff at Cleveland Clinic's Center for Computational Life Sciences, showed how quantum ...

This important study presents a compelling theoretical framework for understanding phase separation of membrane-bound proteins, with a focus on the organization of tight junction components. By ...

The purpose of the atom scripts and functions is to automate and enable the construction and analysis of complex and anisotropic, multicomponent molecular systems ... can plut a full simulation box ...

At the air-water interface, a negatively charged amino acid carries out a nucleophile attack on a gas molecule to convert it ...

A collaborative effort between Meta, Lawrence Berkeley National Laboratory and Los Alamos National Laboratory leverages Los ...

Molecular simulations, while useful in chromatographic biomolecule analysis, can be complex to set up and run. Researchers ...

How do we know exactly what is happening at a molecular level during extremely fast processes, such as burning during ...

Silicon photonics is rewiring the future of data centers. But engineers need more advanced simulation tools to integrate ...

A single atom has performed the first full quantum simulations of how certain molecules ... When this happens, it triggers a cascade of events in the molecule that affects both how its atoms ...

This may make molecular electronics a prime contributor to the building of nanoscale quantum machines using the power of quantum-state superposition. Indeed, as synergistic and cooperative effects ...