This research area employs molecular dynamics (MD) simulations to unravel the intricate behaviour of molecules at the juncture between vapour and liquid phases. MD simulations provide atomistic ...

Wafer Scale Engine Unlocks 1.1 Million Simulations Steps/Sec, Enabling Scientists to Perform Two Years’ Worth of GPU-Based Simulations in a Single Day on Cerebras SUNNYVALE, Calif.--(BUSINESS ...

A simple transformer-based model challenges the role of physical constraints in molecular dynamics simulations Simulating how atoms and molecules move over time is a central challenge in computational ...

KAWASAKI, Japan, Dec 1, 2025 - (JCN Newswire) - - Fujitsu today announced the successful development of a technology for molecular dynamics (MD) simulation that enables atomic-level structural ...

Jian Jiang's team at the Institute of Chemistry, Chinese Academy of Sciences, recently published an article that focuses on the core bottlenecks of ...

Researchers from BIFOLD and Google DeepMind have developed MD-ET, a transformer-based molecular dynamics model that achieves state-of-the-art results without encoding traditional physical constraints ...

CuspAI in Cambridge, this medium's reigning Business of the Year, has notched another major coup through an alliance with ...

The study is published in the July 18, 2025, issue of Nature Chemistry. Operating significantly faster than traditional all-atom molecular dynamics, CGSchNet enables larger proteins and complex ...

(Nanowerk News) Nanoplastics, emerging as persistent environmental pollutants, pose significant threats due to their durability and wide distribution in water bodies. Their interactions with natural ...

Researchers from Google DeepMind, BIFOLD, and TU Berlin have unveiled AI models that simulate molecular behavior without hard-coded physical laws, achieving competitive results through massive ...

The research presented in "Structural basis of human GHRHR conformational plasticity and ligand-dependent signaling" provides ...