量子化學自其首次提出以來，就為理解原子、分子和凝聚態提供了必要的概念和術語框架。在過去的幾十年里，方法學的發展、軟件和硬件的協同進步已經將量子化學轉變為一門真正的跨學科科學，它已經從傳統的分子科學核心擴展到化學和催化、生物物理學、納米技術和材料科學等多種多樣的領域。《量子化學國際期刊》反映了當今量子化學研究領域的廣泛興趣，為快速報道量子力學概念在化學、物理、生物和材料科學領域的發展和應用方面的突破提供了一個專門的論壇?！秶H量子化學雜志》出版了令人興奮的綜合評論、指導教程、遠景展望和代表量子化學領域從理論到模擬到應用的完整論文。我們的內部編輯人員全職，有經驗的博士科學家確?？焖?，專業，中立的同行審查您的貢獻。發表后，我們的團隊將努力確保您的論文得到同行和更廣泛的科學界的認可?！秶H量子化學雜志》的研究主題包括新理論、新方法的發展，以及量子化學及其相關領域的重要應用，包括但不限于電子結構計算多尺度建模密度泛函理論采用分子動力學新材料的設計和性能QM/MM計算和溶劑化模型量子蒙特卡羅生物分子的結構和動力學表面與材料科學光子學和非線性光學量子信息光譜學化學處理催化反應機理及速率集群弱相互作用軟件和算法開發

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 toElectronic Structure calculationsMultiscale modelingDensity functional theoryFirst-principles molecular dynamicsDesign and properties of new materialsQM/MM calculations and solvation modelsQuantum Monte-CarloStructure and dynamics of biomoleculesSurface and material sciencePhotonics and non-linear opticsQuantum InformationSpectroscopiesChemical processingCatalysisReaction mechanisms and ratesClustersWeak interactionsSoftware and algorithms development