Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.
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.
Our in-house editorial staff of full-time, experienced PhD scientists ensures fast, professional, and neutral peer review of your contribution. After publication, our team will work to ensure that your paper receives the recognition it deserves by your peers and the broader scientific community.
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