Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

A diverse group of computational chemists is encouraging the research community to embrace a sustainable software ecosystem. That’s the message behind a recent perspective article published in the ...

BOSTON and SHANGHAI, Sept. 24, 2024 /PRNewswire/ -- Today, XtalPi announced the official launch of XFEP and XMolGen, two proprietary software products designed to accelerate and enhance the efficiency ...

Advanced computational software is streamlining quantum chemistry research by automating many of the processes of running molecular simulations. The complicated design of these software packages, ...

Cresset has launched forgeV10 a powerful computational suite to understand SAR and design. forgeV10 gives computational chemists control and insight into activity data enabling the planning and ...

The NSCCS will be holding a two days workshop for Synthetic Chemists. The workshop is to focus on applied computational chemistry - to emphasise how computations can support experimental research.