85 citations · 100 across the 6 of their papers we have counts for
8 papers
Structural transition states explored with minimalist coarse grained models: applications to Calmodulin
Francesco Delfino, Yuri Porozov, Eugene Stepanov +2
Transitions between different conformational states are ubiquitous in proteins, being involved in signaling, catalysis and other fundamental activities in cells. However, modeling…
Superlubricity of epitaxial monolayer WS2 on graphene
Holger Buech, Antonio Rossi, Stiven Forti +3
We report on the superlubric sliding of monolayer tungsten disulfide (WS2) on epitaxial graphene (EG) on silicon carbide (SiC). WS2 single-crystalline flakes with lateral size of h…
Intrinsic structural and electronic properties of the Buffer Layer on Silicon Carbide unraveled by Density Functional Theory
Tommaso Cavallucci, Valentina Tozzini
The buffer carbon layer obtained in the first instance by evaporation of Si from the Si-rich surfaces of silicon carbide (SiC) is often studied only as the intermediate to the synt…
Multistable rippling of graphene on SiC: A Density Functional Theory study
Tommaso Cavallucci, Valentina Tozzini
Graphene monolayer grown by Si evaporation from the 0001 surface of SiC displays a moiré pattern of corrugation whose structure is ambiguous: different measurements and theoretical…
Electronic properties of WS on epitaxial graphene on SiC(0001)
Stiven Forti, Antonio Rossi, Holger Büch +12
This work reports an electronic and micro-structural study of an appealing system for optoelectronics: tungsten disulphide WS on epitaxial graphene (EG) on SiC(0001). The WS$_2…
Collective mode mining from molecular dynamics simulations: a comparative approach
Vito Dario Camiola, Valentina Tozzini
The evaluation of collective modes is fundamental in the analysis of molecular dynamics simulations. Several methods are available to extract that information, i.e normal mode anal…