Atomistica WORKSHOPS Workshop A-SIDE WORKSHOP ON APPLICATION OF ATOMISTIC CALCULATIONSTask 3 – Adsorption of hydrogen molecule About this task In this task consisting of three parts, you will investigate how a hydrogen molecule (H₂) interacts with three different graphene-like adsorbers: Coronene, which represents a flat fragment of graphene, Nitrogen-modified coronene, where one carbon atom is […]
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Atomistica WORKSHOPS Workshop A-SIDE WORKSHOP ON APPLICATION OF ATOMISTIC CALCULATIONSTask 2 – Geometry Optimization and Equilibrium Structure This task has two parts. In the part 1, you will visualize how a molecule relaxes from a highly distorted geometry into its stable, equilibrium structure. This task demonstrates the direct connection between molecular geometry and energy, the
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Atomistica WORKSHOPS Workshop A-SIDE WORKSHOP ON APPLICATION OF ATOMISTIC CALCULATIONSTASK 1 – Single-Point Energies on the Same Geometry (Caffeine) Goal: show that different methods yield different absolute total energies for the same fixed geometry. You’ll run single-point calculations only (no optimization) and compare results. For this task you will need: Caffeine structure (.xyz) and energy table template, available in
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Atomistica WORKSHOPS Workshop for A-SIDE online school WORKSHOP ON APPLICATION OF ATOMISTIC CALCULATIONS WITHIN THE A-SIDE INITIATIVE What is A-SIDE project Alliance for Sustainable Product Innovation in a Data-Driven Economy (A-SIDE) is a European initiative that serves as a hub for innovation and entrepreneurship in Deep Tech, focusing on advanced manufacturing, advanced materials, and AI-driven data analytics.
Atomistica WORKSHOPS The usage of DataExplorer online WORKSHOP ON STATISTICAL ANALYSIS USING DATA EXPLORER – A PRODUCT OF ATOMISTICA ONLINE About Workshop As part of the GREENLAND project, a specialized workshop dedicated to the statistical analysis of agricultural data was held at Educons University. The workshop was conducted by Dr. Sanja Armaković, Dr. Maria Savanović,
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Atomistica WORKSHOPS Workshop Schrödinger Materials Science Suite WORKSHOP ON APPLICATION OF SCHRÖDINGER MATERIALS SCIENCE SUITE About workshop In August 2018, the first workshop was held by Stevan at the Faculty of Sciences, University of Tuzla, in Tuzla, Bosnia and Herzegovina. The three-day event gathered an inspiring group of young researchers and students eager to explore
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Atomistica WORKSHOPS Workshop Schrödinger Virtual Station WORKSHOP ON APPLICATION OF SCHRÖDINGER VIRTUAL STATION About workshop In 2021, Dr. Stevan Armaković was invited by the developers of Schrödinger Virtual Station to participate in beta testing of this novel cloud computing platform for molecular modeling and materials simulations. This opportunity led to the organization of the workshop
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Atomistica WORKSHOPS Satelite event of 15th ECerS WORKSHOP ON ATOMISTIC CALCULATIONS IN MATERIALS SCIENCE About CYSC 2023 The Fifteenth ECerS Conference for Young Scientists in Ceramics (CYSC 2023) was held in Novi Sad, Serbia, from October 11 to 14, 2023, organized by the Department of Materials Engineering, Faculty of Technology Novi Sad, University of Novi