中文簡(jiǎn)介

量子化學(xué)自其首次提出以來，就為理解原子、分子和凝聚態(tài)提供了必要的概念和術(shù)語(yǔ)框架。在過去的幾十年里，方法學(xué)的發(fā)展、軟件和硬件的協(xié)同進(jìn)步已經(jīng)將量子化學(xué)轉(zhuǎn)變?yōu)橐婚T真正的跨學(xué)科科學(xué)，它已經(jīng)從傳統(tǒng)的分子科學(xué)核心擴(kuò)展到化學(xué)和催化、生物物理學(xué)、納米技術(shù)和材料科學(xué)等多種多樣的領(lǐng)域?！读孔踊瘜W(xué)國(guó)際期刊》反映了當(dāng)今量子化學(xué)研究領(lǐng)域的廣泛興趣，為快速報(bào)道量子力學(xué)概念在化學(xué)、物理、生物和材料科學(xué)領(lǐng)域的發(fā)展和應(yīng)用方面的突破提供了一個(gè)專門的論壇?！秶?guó)際量子化學(xué)雜志》出版了令人興奮的綜合評(píng)論、指導(dǎo)教程、遠(yuǎn)景展望和代表量子化學(xué)領(lǐng)域從理論到模擬到應(yīng)用的完整論文。我們的內(nèi)部編輯人員全職，有經(jīng)驗(yàn)的博士科學(xué)家確保快速，專業(yè)，中立的同行審查您的貢獻(xiàn)。發(fā)表后，我們的團(tuán)隊(duì)將努力確保您的論文得到同行和更廣泛的科學(xué)界的認(rèn)可。《國(guó)際量子化學(xué)雜志》的研究主題包括新理論、新方法的發(fā)展，以及量子化學(xué)及其相關(guān)領(lǐng)域的重要應(yīng)用，包括但不限于電子結(jié)構(gòu)計(jì)算多尺度建模密度泛函理論采用分子動(dòng)力學(xué)新材料的設(shè)計(jì)和性能QM/MM計(jì)算和溶劑化模型量子蒙特卡羅生物分子的結(jié)構(gòu)和動(dòng)力學(xué)表面與材料科學(xué)光子學(xué)和非線性光學(xué)量子信息光譜學(xué)化學(xué)處理催化反應(yīng)機(jī)理及速率集群弱相互作用軟件和算法開發(fā)

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英文簡(jiǎn)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