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 ...

The Data Science and Modeling for Green Chemistry award aims to recognize the research and development of computational tools that guide the design of sustainable chemical processes and the execution ...

Unlock the full InfoQ experience by logging in! Stay updated with your favorite authors and topics, engage with content, and download exclusive resources. This article dives into the happens-before ...

Chinese researchers used the Oceanlite supercomputer and a custom NNQS model to simulate molecular systems with 120 spin ...

Growing kids tend to repeat all sorts of colorful language heard while at school, yet there's one particular C-word that causes some parents to feel a special type of dread. Chemistry. A new teaching ...

Computational chemistry and molecular modeling form the backbone of modern theoretical and applied chemical science. These fields utilise advanced quantum mechanical methods and simulation techniques ...

Understanding the role of external factors in chemical reactions is central to theoretical and experimental chemistry ...

Students preparing for the 2024-25 board exams should make the most of these resources for better exam preparation. Here, we ...