International Journal of Quantum Chemistry

The Int. Journal of Quantum Chemistry reflects the broad interests of today’s quantum chemistry research community, providing a dedicated forum for rapidly reporting breakthroughs in the development and application of quantum mechanical concepts in chemistry, physics, biology and materials science. The Int. Journal of Quantum Chemistry publishes an exciting mix of comprehensive reviews, instructive tutorials, visionary perspectives, and full papers that represent the gamut of the field of quantum chemistry, from theory to simulations to applications. Research topics covered in the Int. Journal of Quantum Chemistry include development of new theories, methodology, and important applications in quantum chemistry and related areas, including but not limited to: Electronic Structure calculations Multiscale modeling Density functional theory First-principles molecular dynamics Design and properties of new materials QM/MM calculations and solvation models Quantum Monte-Carlo Structure and dynamics of biomolecules Surface and material science Photonics and non-linear optics Quantum Information Spectroscopies Chemical processing Catalysis Reaction mechanisms and rates Clusters Weak interactions Software and algorithms development