An expanding compilation of articles concerning the intersection of artificial intelligence and chemistry.
“Artificial intelligence leverages computers and machines to mimic the problem-solving and decision-making capabilities of the human mind.” [1]
Markus Kraft on the intersection of AI and chemistry, knowledge engineering and machine learning, their applications, challenges and successes, as well as his World Avatar Project
Discussing science communication, AI in chemistry, publication ethics, and the purpose of life with an AI
Alexei Lapkin, University of Cambridge, UK, on the state of the art and challenges of transforming chemistry into the digital realm
Extraction of synthesis parameters and prediction of experimental crystallization outcomes
Scientists should switch to open large language models (LLMs) and help others to distribute them
GAME-Net makes fast chemical predictions on a laptop, replacing days of supercomputer simulations using DFT
Method can be used across a broad range of different enzymes and metabolites
First large-scale view into the diversity of metagenomic protein structures
BASF upgrades its supercomputing infrastructure at Ludwigshafen site
Data
A. Förster and S. Espinoza, DECHEMA, discuss the goals and benefits of NFDI4Cat and the transformative impact of FAIR data sharing on catalysis research
A collection of useful subject-specific information resources for chemists and other scientists
Reference
[1] What is artificial intelligence (AI)?, IBM website (accessed July 21, 2023)
