Using computational chemistry to create 'designer molecules' for industry. ScienceDaily . Retrieved June 3, 2025 from www.sciencedaily.com / releases / 2010 / 04 / 100401131101.htm ...

Johannes Hachmann, PhD Associate Professor of Chemical and Biological Engineering, University at Buffalo School of Engineering and Applied Sciences Core Faculty Member in the Computational and ...

Analytical chemistry researchers at the University of Amsterdam's Van 't Hoff Institute for Molecular Sciences (HIMS) have developed a novel algorithm that significantly improves the analysis of ...

Thakkar’s group has compared training datasets for the types of predictive synthesis algorithms Coley works on and found they performed well no matter what data they were trained on (Chem. Sci ...

Earlier this month, the Royal Swedish Academy of Sciences awarded the 2024 Nobel Prize in Chemistry for work on computational protein structure prediction and de novo protein design.

Scientists deliver quantum algorithm to develop new materials and chemistry. ScienceDaily . Retrieved June 2, 2025 from www.sciencedaily.com / releases / 2024 / 03 / 240325135059.htm ...

Dynamic programming (DP) algorithms have become indispensable in computational biology, addressing problems that range from sequence alignment and phylogenetic inference to RNA secondary structure ...

The researchers describe their progress on the project — known as Transferring Exascale Computational Chemistry to Cloud Computing Environment and Emerging Hardware Technologies, or TEC 4 — in ...

Scientists David Baker, Demis Hassabis and John Jumper won the 2024 Nobel Prize in Chemistry, the award-giving body said on Wednesday, for work on the structure of proteins.