A game of chess requires its players to think several moves ahead, a skill that computer programs have mastered over the ...

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 ...

A new quantum-classical approach speeds up the discovery of photochromic materials. A joint research team has developed an ...

Our Parliamentary Affairs and Policy and Evidence teams have submitted their calls to the Government as part of the feedback process for the Spending Review.

This article delves into advancements in green chromatography, focusing on how innovative HPLC column design can drive ...

The late research pioneer Roberta (“Bobbie”) Colman, Willis F. Harrington Professor of Chemistry and Biochemistry at UD, had ...

Tim Berners-Lee, a British scientist, invented the World Wide Web (WWW) in 1989, while working at CERN. The Web was originally conceived and developed to meet the demand for automated ...

Earliest inner solar system planetesimals shaped the inventory of moderately volatile elements in terrestrial planets.

The Fannie and John Hertz Foundation today announced 52 finalists for the 2025 Hertz Fellowships in applied science, mathematics and engineering.

A next-generation quantum chemistry and crystallography program and library, designed for modern computational workflows. Note: OCC is in active development and undergoes frequent changes. The API and ...

The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpca.4c06285. fsTA pulse characterization; TD-DFT transition properties ...

Department of Computational and Quantitative Medicine, Beckman Research Institute of the City of Hope, 1218 S 5th Ave, Monrovia, California 91016, United States Irell and Manella Graduate School of ...