"Our software enables QM/MM simulations with a variety of advanced quantum mechanical models, and by integrating it with the popular AMBER molecular simulation package, which is used by hundreds of ...

The CP2K open-source package is among the top three most widely used research software suites worldwide for simulating the ...

January 3, 2014. ANSYS announced today that it has completed the acquisition of Reaction Design, a developer of chemistry simulation software. The Company will provide further details regarding the ...

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 ...

Researchers led by Jin-Long Yang are developing code that is moving the scope of precise atomic-level quantum chemistry simulations up to a few hundred thousand atoms, making it possible to simulate ...

Microsoft has released open-source Quantum Development Kit tools for chemistry and error correction, with VS Code integration ...

SAN DIEGO--(BUSINESS WIRE)--Reaction Design®, a leading developer of combustion simulation software, is pleased to announce that the CHEMKIN-CFD™ module for simulating detailed chemistry in ...

SandboxAQ has announced the acquisition of Good Chemistry, a prominent computational chemistry firm that uses quantum computing, artificial intelligence (AI), and other cutting-edge technologies to ...

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 ...

Ansys, which produces engineering and simulation software, is to acquire Reaction Design, which develops chemistry simulation software, with the transaction expected to complete in January 2014. The ...