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

Editor-in-Chief:

Dr. Matteo Cavalleri: Matteo studied Chemistry at the University of Milan (Italy) and University of Valencia (Spain) before obtaining his Ph.D. in the Quantum Chemistry group of the Physics Department at Stockholm University (Sweden) with a thesis entitled “Local Structure of Hydrogen Bonded Liquids”. After a 3 years’ experience at the Theory Department of the Fritz-Haber-Institut in Berlin (Germany) as an Alexander von Humboldt postdoctoral research fellow, he joined Wiley in August 2008 as an Editor of physica status solidi. After an experience as Associate Editor of the Journal of Polymer Science Part B: Polymer Physics he moved on to become the Editor-in-Chief of Int. Journal of Quantum Chemistry in October 2011.
Deputy Editor:
Dr. Gian Giacomo Asara: After obtaining his B.Sc. in Chemistry at the University of Sassari (Italy), Gian coursed a M.Sc. in Theoretical and Computational Chemistry at the Rovira i Virgili University (Spain) followed by another one in Physical and Inorganic Chemistry back in his home town (Sassari). As part of both the Quantum Chemistry Group in Tarragona and the Computational Material Science Lab at the University of Barcelona, he completed his Ph.D. thesis in computational heterogeneous catalysis under the supervision of Prof. J.M. Ricart and Prof. F. Illas in 2014. Subsequently he moved to London joining the Theory and Simulation of Condensed Matter Group in the Physics department of King’s College London (UK) as Research Associate. In 2018 Gian joined Wiley as Deputy Editor of the International Journal of Quantum Chemistry.
Consulting Editors
Erkki Brändas
Uppsala, Sweden

Yngve Öhrn
Florida at Gainesville, USA

 
John R. Sabin
Florida at Gainesville, USA

Honorary Editors
Jerome Karle
Washington, DC, USA
Enrico Clementi
Como, Italy
 
Rudy Marcus
Pasadena, USA
Jan Erik Linderberg
Aarhus, Danmark
Editorial Board
Joel Bowman
Atlanta, GA, USA
Ria Broer
Groningen, Netherlands
Malgorzata Biczysko
Shanghai, China
Sylvio Canuto
São Paulo, Brazil
Lorenz S. Cederbaum
Heidelberg, Germany
Jeng-Da Chai
Taipei, Taiwan
Benoît Champagne
Namur, Belgium
Jiri Čížek
Waterloo, Canada & Prague, Czech Republic
Sonia Coriani
Lingby, Danmark
Francesco Evangelista
Atlanta, GA, USA
Wei-Hai Fang
Beijing, China
Gernot Frenking
Marburg, Germany & Donosti, Spain
Célia Fonseca Guerra
Amsterdam, Netherlands
Nicola Gaston
Auckland, New Zealand
Debashree Ghosh
Kolkata, India
Ricardo Grau-Crespo
Reading, UK
Trygve Ulf Helgaker
Olso, Norway
Carmen Herrmann
Hamburg, Germany
 

Denis Jacquemin
Nantes, France
Frank Jensen
Aarhus, Denmark
Roy L. Johnston
Birmingham, UK
Jun Kawai
Kyoto, Japan
Elfi Kraka
Dallas, TX, USA
Eugene S. Kryachko
Kiev, Ukraine
Anna Krylov
Los Angeles, CA, USA
Heather J. Kulik
Cambridge, MA, USA
János Ladik
Erlangen-Nürnberg, Germany
Souad Lahmar
Tunis, Tunisia
Roland Lindh
Uppsala, Sweden
Eva Lindroth
Stockholm, Sweden
Wenjian Liu
Qingdao, China
Gabriel Merino
Merida, Mexico
Manoj K. Mishra
Mumbai, India
Jane S. Murray
Cleveland, OH, USA
Ágnes Nagy
Debrecen, Hungary
Hiromi Nakai
Tokyo, Japan
 
Josef Paldus
Waterloo, Canada
Michele Pavanello
Newark, NJ, USA
John P. Perdew
Philadelphia, PA, USA
Katarzyna Pernal
Lodz, Poland
Piotr Piecuch
East Lansing, MI, USA
Jean-Philip Piquemal
Paris, France
Peter A. Politzer
Cleveland, OH, USA
Paul L. A. Popelier
Manchester, UK
Markus Reiher
Zurich, Switzerland
Adrian E. Roitberg
Gainesville, FL, USA
Kenneth Ruud
Tromsø, Norway
Dennis Salahub
Calgary, Canada
Steve Scheiner
Logan, UT, USA
Dage Sundholm
Helsinky, Finland
Péter Szalay
Budapest, Hungary
Alia V. Tadjer
Sofia, Bulgaria
Edward F. Valeev
Blacksburg, VA, USA
Eva Zurek
Buffalo, NY, USA