Stevan Armakovic

- Physicist with expertise in the computational modeling of materials and molecules. - Assistant Professor at the University of Novi Sad, Faculty of Sciences, Department of physics. - Board President of the Association for the International Development of Academic and Scientific Collaboration (www.aidasco.org) - 130 papers in journals with impact factors, ~2000 citations (Web of Science, Scopus), h-index 25 (Web of Science, Scopus) - Founder of the atomistica.online project

Common mistakes in molecular modeling involving B3LYP functional

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Welcome to atomistica.online Articles & Tutorials Common mistakes in molecular modeling involving B3LYP functional If you find this article useful, please consider supporting the development of atomistica.online by citing: Stevan Armaković and Sanja J. Armaković ATOMISTICA.ONLINE – WEB APPLICATION FOR GENERATING INPUT FILES FOR ORCA MOLECULAR MODELING PACKAGE MADE WITH THE ANVIL PLATFORM Molecular Simulation, …

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Citing density functionals

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Welcome to atomistica.online Articles & Tutorials Citing density functionals Lately, while reviewing manuscripts for journals with impact factor, we have noticed an increasingly negative trend – authors don’t provide citations for density functionals, basis sets, software packages used for calculations, etc. If beginners read a paper where, for example, density functional is not cited, they …

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Choosing the right method

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Welcome to atomistica.online Articles & Tutorials Choosing the right method Selecting a right level of theory for atomistic calculations is crucial step for computational research of molecules. Therefore, we have decided to write this guide. Please keep in mind that this is an initial version of the article. It is a work in progress and will …

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