Machine learning is rapidly transforming molecular dynamics simulations by enabling the construction of highly accurate interatomic potentials derived from high‐level quantum calculations. This ...
Scientists have identified and demonstrated a method to process a plant-based material called nanocellulose that reduced energy needs by a whopping 21%, using simulations on the lab's supercomputers ...
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Manchester team builds ML models for stable molecular simulations at high heat
Researchers at The University of Manchester have built a machine-learning model that prevents simulated molecules from flying ...
The way a key cellular motor works at an atomic level has been uncovered by simulations conducted by RIKEN biophysicists.
Researchers at the Center for Computational Sciences, University of Tsukuba, have developed an accessible platform to overcome the limitations of conventional static docking simulations, offering new ...
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 ...
Researchers at The University of Manchester have created a groundbreaking physics‑informed machine‑learning model that can ...
A molecular model showing the rotor ring component of ATP synthase. In a molecular dynamics study, RIKEN researchers have ...
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