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Alternative insight into aluminium-phosphate glass network from ab initio molecular dynamics simulations
Stoch, Paweł, Goj, Paweł, Wajda, Aleksandra, Stoch, Agata
Published in Ceramics international (15.01.2021)
Published in Ceramics international (15.01.2021)
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Diverging effects of isotopic fractionation upon molecular diffusion of noble gases in water: mechanistic insights through ab initio molecular dynamics simulations
Pinto de Magalhães, Halua, Brennwald, Matthias S., Kipfer, Rolf
Published in Environmental science--processes & impacts (22.03.2017)
Published in Environmental science--processes & impacts (22.03.2017)
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Interfacial charge transfer and Schottky barriers at c-Si/a-In heterojunctions
Fang, Piet Xiaowen, Nihtianov, Stoyan, Sberna, Paolo, de Wijs, Gilles A, Fang, Changming
Published in Journal of physics communications (01.08.2022)
Published in Journal of physics communications (01.08.2022)
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Computational Quantum Physics and Chemistry of Nanomaterials
Year of Publication 2021
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Exploring the High Pressure Phase Diagrams of Light Elements Using Large Scale Ab-initio Molecular Dynamics Simulations
Tamblyn, I., Bonev, S.A.
Published in 2008 22nd International Symposium on High Performance Computing Systems and Applications (02.07.2008)
Published in 2008 22nd International Symposium on High Performance Computing Systems and Applications (02.07.2008)
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Graphene flakes under controlled biaxial deformation
Androulidakis, Charalampos, Koukaras, Emmanuel N., Parthenios, John, Kalosakas, George, Papagelis, Konstantinos, Galiotis, Costas
Published in Scientific reports (15.12.2015)
Published in Scientific reports (15.12.2015)
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Molecular reactions at aqueous interfaces
Ruiz-Lopez, Manuel F., Francisco, Joseph S., Martins-Costa, Marilia T. C., Anglada, Josep M.
Published in Nature reviews. Chemistry (01.09.2020)
Published in Nature reviews. Chemistry (01.09.2020)
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