Pavan Subramani started doing molecular dynamics simulations for computational drug discovery alongside his high school coursework, sparking an interest in a STEM career.

Anthropic has introduced Claude Science, a new AI workbench for scientists that integrates research tools, produces auditable artifacts, and connects to specialized life sciences models and workflows ...

Anthropic's Claude Science is a capable AI research workbench built for molecular biology. The opportunities for the rest of ...

At an event for pharmaceutical executives, biotech founders, and researchers on Tuesday, Anthropic announced Claude Science, ...

Otaniemi Center for Atomic-scale Materials Modeling (OCAMM), hosted by the Department of Chemistry and Materials Science (CMAT). The positions to be filled are part of a new project funded by Business ...

This project aims to provide a collection of Python-based solutions for chemistry-related problems, ranging from data analysis and molecular visualization to predictive modeling using machine learning ...

$ ccinput gaussian opt M062X -bs def2tzvp -f ethanol.xyz -n 8 --mem 32G %chk=calc.chk %nproc=8 %mem=32000MB #p opt M062X/Def2TZVP File created by ccinput 0 1 C -1.31970000 -0.64380000 0.00000000 H ...

The prize was awarded to Susumu Kitagawa, Richard Robson and Omar Yaghi for the development of an architecture that some chemists compare with a molecular sponge. By Alexa Robles-Gil and Ali Watkins ...

Abstract: For decades, computational chemistry has been posited as one of the areas in which quantum computing would revolutionize. However, the algorithmic advantages that fault-tolerant quantum ...