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 ...

Using advanced computer modeling, researchers at the U.S. Department of Energy's Argonne National Laboratory have developed a way to accurately predict the behavior of devices called molecular qubits.

Researchers from the Massachusetts Institute of Technology (MIT) Jameel Clinic for Machine Learning in Health have announced the open-source release of Boltz-2, which now predicts molecular binding ...

A view inside the trapped-ion quantum computer that carried out a first-of-its-kind simulation of molecular chemistry. A single atom has performed the first full quantum simulations of how certain ...

A new open-source model of brain metabolism, developed by scientists at École Polytechnique Fédérale de Lausanne (EPFL), has shown how altering key chemicals could restore aged cells to their youthful ...

Integrative modeling transforms how scientists understand molecular machines, with Rutgers researchers leading the global effort The Research Collaboratory for Structural Bioinformatics Protein Data ...

This report by Towards Healthcare, a sister firm of Precedence Research, offers a concise overview of the global CADD market, its growth drivers, and key trends.Ottawa, Oct. 09, 2025 (GLOBE NEWSWIRE) ...

Boise State faculty from the Department of Chemistry and Biochemistry and the Department of Computer Science were awarded a ...

Trained on quantum data, a new model makes computations more accurate while keeping computer costs low ...