Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures ...

The situation is analogous to highly experienced biochemists, polymer chemists, experts in computational chemistry, and other specialties, all finding each other’s scholarly presentations and ...

On February 11, the team from the Data Darkness Lab (DDL) at the Medical Imaging Intelligence and Robotics Research Center of ...

Computational chemistry is really important for figuring out how to ... "That really makes React-OT a practical model that we can directly integrate to the existing computational workflow in ...

Given the multitude of conditions that must be optimized in synthesis routes, chemical synthesis remains a complex and ...

The discovery, which represents a major step forward in the field of photocatalysis—using light to drive chemical reactions—shows how biology and chemistry can work hand-in-hand to unlock new ...

A research team has introduced a new out-of-core mechanism, Capsule, for large-scale GNN training, which can achieve up to a 12.02× improvement in runtime efficiency, while using only 22.24% of the ...

Computational Biophysics and CADD Group, Computational and Mathematical Biology Centre (CMBC), Translational Health Science and Technology Institute (THSTI), Faridabad 121001, India Delhi ...

May 6, 2025 — A new discovery about the slime ejected by velvet worms could revolutionize sustainable material design. The findings outline how a naturally occurring protein structure, conserved ...

Take a screenshot of a workflow diagram (e.g., from YouTube). Paste it directly into Claude. Add this command: “Replicate this workflow end to end in n8n as a JSON file.” Claude can read the ...

Its original iteration wowed scientists with its speed and accuracy in 2020, and two of its developers shared part of the 2024 Nobel Prize in Chemistry. One of the improvements in AlphaFold 3 ...