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Journal of Computational Chemistry|August 1, 2015
Electron density analysis of large (molecular and periodic) systems: A parallel implementationSilvia Casassa, Alessandro Erba, Jacopo Baima, et al.Physical Chemistry Chemical Physics : PCCP|December 22, 2015
Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculationsJacopo Baima, Alessandro Zelferino, Paolo Olivero, et al.Physical Chemistry Chemical Physics : PCCP|June 12, 2019
Surface thermodynamics of silicate compounds: the case of Zn<sub>2</sub>SiO<sub>4</sub>(001) surfaces and thin filmsJacopo Baima, Jacek Goniakowski, Claudine Noguera, et al.Physical Review Letters|December 9, 2017
Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe_{2}Maria Hellgren, Jacopo Baima, Raffaello Bianco, et al.Physical Chemistry Chemical Physics : PCCP|September 18, 2020
Theoretical study of metal/silica interfaces: Ti, Fe, Cr and Ni on β-cristobaliteJacopo Baima, Ha-Linh Thi Le, Jacek Goniakowski, et al.Physical Chemistry Chemical Physics : PCCP|September 21, 2022
Capabilities and limits of autoencoders for extracting collective variables in atomistic materials scienceJacopo Baima, Alexandra M Goryaeva, Thomas D Swinburne, et al.Nano Letters|June 17, 2022
Gate-Tunable Magnetism and Giant Magnetoresistance in Suspended Rhombohedral-Stacked Few-Layer GrapheneYongjin Lee, Shi Che, Jairo Velasco, et al.The Journal of Chemical Physics|June 4, 2020
The CRYSTAL code, 1976-2020 and beyond, a long storyRoberto Dovesi, Fabien Pascale, Bartolomeo Civalleri, et al.Pageof 1