INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

英文简介

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

中文简介

量子化学自其首次提出以来，就为理解原子、分子和凝聚态提供了必要的概念和术语框架。在过去的几十年里，方法学的发展、软件和硬件的协同进步已经将量子化学转变为一门真正的跨学科科学，它已经从传统的分子科学核心扩展到化学和催化、生物物理学、纳米技术和材料科学等多种多样的领域。《量子化学国际期刊》反映了当今量子化学研究领域的广泛兴趣，为快速报道量子力学概念在化学、物理、生物和材料科学领域的发展和应用方面的突破提供了一个专门的论坛。《国际量子化学杂志》出版了令人兴奋的综合评论、指导教程、远景展望和代表量子化学领域从理论到模拟到应用的完整论文。我们的内部编辑人员全职，有经验的博士科学家确保快速，专业，中立的同行审查您的贡献。发表后，我们的团队将努力确保您的论文得到同行和更广泛的科学界的认可。《国际量子化学杂志》的研究主题包括新理论、新方法的发展，以及量子化学及其相关领域的重要应用，包括但不限于电子结构计算多尺度建模密度泛函理论采用分子动力学新材料的设计和性能QM/MM计算和溶剂化模型量子蒙特卡罗生物分子的结构和动力学表面与材料科学光子学和非线性光学量子信息光谱学化学处理催化反应机理及速率集群弱相互作用软件和算法开发

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