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 ...
Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...
The world is awash with news about artificial intelligence tools, including those intended to help chemists. But are the tools useful, a threat, or even worth the attention? It’s hard to know, ...
Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...
The Boston-based computational chemistry start-up Rowan Scientific has secured $2.1 million in preseed funding from investors including Pillar VC and AI Grant. The firm was formed last year by ...
Professor Gherman’s research focuses on the computational modeling of bioinorganic chemistry. The principal goal of his research involves the application of computational chemistry methods to study ...
A newly designed robust mechanophore provides early warning against mechanical failure while resisting heat and UV, report ...
A newly designed robust mechanophore provides early warning against mechanical failure while resisting heat and UV, report ...
Computational chemistry has evolved into a cornerstone of modern chemical research, bridging stringent quantum mechanical principles with practical numerical simulations to predict and elucidate ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results
Feedback