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 ...

Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...

Quantinuum was formed in 2021 by the merger of Honeywell Quantum Solutions (quantum hardware) and Cambridge Quantum Computing (quantum software). Quantinuum has released InQuanto, a python-based ...

A research team has delivered an overview of how computational tools are reshaping the design of nonnatural metabolic pathways—engineered biochemical routes that do not exist in nature but enable ...

The Transferring Exascale Computational Chemistry to Cloud Computing Environment and Emerging Hardware Technologies (TEC4) project is accelerating the transition of electronic structure methods to ...

Computing hasn’t changed fundamentally since the advent of the abacus 4,500 years ago. But that could change imminently as the world ushers in the quantum computer, a radically new type of computing ...

Kinases are crucial to many signaling pathways, and when they don't work properly, the consequences can lead to problems, including cancer, immune diseases, and neurological disorders. But there are ...

We’re looking for highly motivated Ph.D.’s to fill two new postdoctoral associate positions in computational chemistry and who are interested in exploring conformational equilibrium of protein ...

Weill Cornell Medicine researchers have developed a computational method to map the architecture of human tissues in unprecedented detail. Their approach promises to accelerate studies on organ-scale ...