Title: Application of atomistic calculations for energy challenges

Abstract: 

The energy system is the engine of development. Humankind rapidly develops and our energy demands constantly grow. Until recently, the only preoccupation of humanity was to generate enough amount of energy. We are using fossil fuels and “filthy” technologies without limits, leading to catastrophic ecological consequences. Now, we face unprecedented times when humankind has to create efficient, sustainable and environmentally friendly energy systems.

The application of atomistic calculations for developing new materials for energetic purposes has become a must in the scientific community. Thanks to the rapid development of science and technology, calculations on molecules and periodic structures have become readily available even on ordinary desktop computers. This allows scientists worldwide to design and screen materials with improved properties for solving energy challenges.

A wide range of computational methods is available to investigate different properties on the atomic and molecular levels. However, each approach has its advantages and drawbacks. In this talk, the most useful atomistic calculations for the investigation in materials science will be presented. Attention will be focused on applying methods that are useful for solving energy challenges.

Biography:

Dr. Stevan Armaković is a physicist with expertise in computational materials and molecular modeling. He applies atomistic calculations to understand structural, reactive, transport and optoelectronic properties of various molecules, (in)organic (nano)materials, ionic liquids, polymers, etc. He has applied a vast number of computational tools for atomistic calculations, including but not limited to: Schrödinger Materials Science Suite (Jaguar, Desmond and MacroModel programs), GAMESS, Orca, PSI4, SCM AMS, QuantumATK, Quantum Espresso, AutoDockVina, Gaussian, etc.

He is currently affiliated with the Department of Physics, Faculty of Sciences of the University of Novi Sad, where he teaches various physics courses. He also teaches selected physics courses for the students with exceptional abilities in physics at the “Jovan Jovanović Zmaj” high school.

Stevan is a verified peer reviewer at Publons, with more than 300 pre-publication reviews for journals with impact factors. According to the Google Scholar database, he is cited more than 2300 times, with an h-index equal to 27.

Together with Dr. Sanja Armaković, MSc Maria Uzelac and Nikola Savanović, he has established an NGO devoted to the international development of academic and scientific collaboration (www.aidasco.org), to which he serves as a President of the Board.