Sfoglia per SSD
Automated parametrization of biomolecular force fields from quantum mechanics/molecular mechanics (QM/MM) simulations through force matching
2007-01-01 Maurer, P.; Laio, A.; Hugosson, H. W.; Colombo, M. C.; Rothlisberger, U.
Automatic classification of single-molecule force spectroscopy traces from heterogeneous samples
2020-01-01 Ilieva, Nina I; Galvanetto, Nicola; Allegra, Michele; Brucale, Marco; Laio, Alessandro
Automatic Learning of Hydrogen-Bond Fixes in the AMBER RNA Force Field
2022-01-01 Froehlking, Thorben; Mlýnský, Vojtěch; Janeček, Michal; Kührová, Petra; Krepl, Miroslav; Banáš, Pavel; Šponer, Jiří; Bussi, Giovanni
Automatic topography of high-dimensional data sets by non-parametric density peak clustering
2021-01-01 D'Errico, M.; Facco, E.; Laio, A.; Rodriguez Garcia, A.
Auxiliary-field quantum Monte Carlo calculations for systems with long-range repulsive interactions
1993-01-01 Silvestrelli, P. L.; Baroni, S.; Car, R.
Avoiding barren plateaus via transferability of smooth solutions in a Hamiltonian variational ansatz
2022-01-01 Mele, Antonio A.; Mbeng, Glen B.; Santoro, Giuseppe E.; Collura, Mario; Torta, Pietro
BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures
2013-01-01 Sarti, E; Zamuner, S; Cossio, P; Laio, Alessandro; Seno, F; Trovato, A.
Back to square one for superfluidity
2004-01-01 Scandolo, Sandro; Santoro, Giuseppe E.
Ballistic conductance and magnetism in short tip suspended Ni nanowires
2006-01-01 Smogunov, A; Dal Corso, Andrea; Tosatti, Erio
Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudopotentials
2004-01-01 Smogunov, A.; Dal Corso, Andrea; Tosatti, Erio
Ballistic conductance of Ni nanowire with a magnetization reversal
2004-01-01 Smogunov, A; Dal Corso, Andrea; Tosatti, E.
Ballistic nanofriction
2010-01-01 Guerra, R.; Tartaglino, U.; Vanossi, A.; Tosatti, E.
Ballistic transport and boundary resistances in inhomogeneous quantum spin chains
2019-01-01 Biella, Alberto; Collura, Mario; Rossini, Davide; De Luca, Andrea; Mazza, Leonardo
Band offsets engineering at semiconductor heterojunctions
1993-01-01 Peressi, M.; Colombo, L.; Baldareschi, A.; Resta, R.; Baroni, S.
Band Offsets in Lattice-Matched Heterojunctions: A Model and First-Principles Calculations for GaAs/AlAs
1988-01-01 Baldereschi, A.; Baroni, S.; Resta, Raffaele
Band structure of lead sulphide
1992-01-01 A., Santoni; G., Paolucci; Santoro, Giuseppe Ernesto; K. C., Prince; N. E., Christensen
Barnaba: software for analysis of nucleic acid structures and trajectories
2019-01-01 Bottaro, Sandro; Bussi, Giovanni; Pinamonti, Giovanni; Reißer, Sabine; Boomsma, Wouter; Lindorff-Larsen, Kresten
Benchmark study of an auxiliary-field quantum Monte Carlo technique for the Hubbard model with shifted-discrete Hubbard-Stratonovich transformations
2019-01-01 Seki, K.; Sorella, S.
Bending rigidity, supercoiling and knotting of ring polymers: models and simulations
2019-10-14 Coronel, Lucia
Bending stiffness collapse, buckling, topological bands of freestanding twisted bilayer graphene
2023-01-01 Wang, Jin; Khosravi, Ali; Silva, Andrea; Fabrizio, Michele; Vanossi, Andrea; Tosatti, Erio
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