Detalhe da pesquisa
1.
Gate-Tunable Magnetism and Giant Magnetoresistance in Suspended Rhombohedral-Stacked Few-Layer Graphene.
Nano Lett;
22(13): 5094-5099, 2022 Jul 13.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35715214
2.
Capabilities and limits of autoencoders for extracting collective variables in atomistic materials science.
Phys Chem Chem Phys;
24(38): 23152-23163, 2022 Oct 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36128869
3.
Theoretical study of metal/silica interfaces: Ti, Fe, Cr and Ni on ß-cristobalite.
Phys Chem Chem Phys;
22(37): 21453-21462, 2020 Sep 30.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32945324
4.
The CRYSTAL code, 1976-2020 and beyond, a long story.
J Chem Phys;
152(20): 204111, 2020 May 29.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32486670
5.
Surface thermodynamics of silicate compounds: the case of Zn2SiO4(001) surfaces and thin films.
Phys Chem Chem Phys;
21(24): 13287-13295, 2019 Jun 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31183489
6.
Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe_{2}.
Phys Rev Lett;
119(17): 176401, 2017 Oct 27.
Artigo
em Inglês
| MEDLINE
| ID: mdl-29219422
7.
Raman spectroscopic features of the neutral vacancy in diamond from ab initio quantum-mechanical calculations.
Phys Chem Chem Phys;
18(3): 1961-8, 2016 Jan 21.
Artigo
em Inglês
| MEDLINE
| ID: mdl-26686374
8.
Electron density analysis of large (molecular and periodic) systems: A parallel implementation.
J Comput Chem;
36(26): 1940-6, 2015 Oct 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-26227243