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 ...

Theoretical and computational chemistry form a synergistic field that harnesses the rigorous principles of quantum mechanics alongside sophisticated numerical simulations to elucidate molecular ...

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

India's adoption of computational chemistry is supported by a large pool of skilled scientists, specialized academic programmes, and cost-effective research infrastructure, attracting significant ...

Singapore, May 8: QDX proudly congratulates its Co-Founder and Head of Research, A/Prof. Giuseppe Barca, on being awarded the 2025 Dirac Medal, the highest international honour for early-career ...

We’re at an interesting crossroads in drug discovery. Despite our growing understanding of disease biology, finding the right molecule to effectively target and intervene in disease pathways remains ...