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11:15
Ab Initio Molecular Dynamics Studies of Hydrogen Bonding and IR Spectra in EMIM-TFSI/H2O Systems
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Piotr Wróbel
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11:30
Vibrational Spectra from Molecular Dynamics: Seeking for an Efficient Computational Method
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Andrzej Eilmes
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11:45
Computational Modeling of Intermolecular Interactions in Supramolecular Crystals: Towards Automated Explorations of Chemical Spaces
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Grzegorz Niedzielski
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12:00
Molecular Modeling of Cisplatin Derivatives: the Relationship Between Structure and Potential Bioactivity
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Wojciech Łach
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12:15
Solvent Molecules Impact on the Nylon 6 Thermal Degradation Process: the Ab Initio Molecular Dynamics and DFT Study
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Yuliia Didovets
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12:30
Molecular Modeling of Selected Perovskites with Possible Application in Photovoltaics
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Alicja Mikłas
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12:45
Computational Studies on Structural and Photophysical Properties of a 2,4-Dihydroxyphenyl-Substituted 1,3,4-Thiadiazole
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Dominika Kaczmarczyk
