Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
![]() |
Highly efficient energy excitation transfer in light-harvesting complexes: The fundamental role of noise-assisted transportCaruso, F. ; Chin, A. W. ; Datta, A. ; Huelga, S. F. ; Plenio, M. B.The Journal of chemical physics, 2009-09, Vol.131 (10), p.105106-105106-15 [Periódico revisado por pares]The American Physical SocietyTexto completo disponível |
2 |
Material Type: Artigo
|
![]() |
TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte CarloNakano, Kousuke ; Attaccalite, Claudio ; Barborini, Matteo ; Capriotti, Luca ; Casula, Michele ; Coccia, Emanuele ; Dagrada, Mario ; Genovese, Claudio ; Luo, Ye ; Mazzola, Guglielmo ; Zen, Andrea ; Sorella, SandroThe Journal of chemical physics, 2020-05, Vol.152 (20), p.204121-204121 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
3 |
Material Type: Artigo
|
![]() |
Extending the accuracy of the SNAP interatomic potential formWood, Mitchell A. ; Thompson, Aidan P.The Journal of chemical physics, 2018-06, Vol.148 (24), p.241721-241721 [Periódico revisado por pares]United States: American Institute of Physics (AIP)Texto completo disponível |
4 |
Material Type: Artigo
|
![]() |
Blind test of density-functional-based methods on intermolecular interaction energiesTaylor, DeCarlos E. ; Ángyán, János G. ; Galli, Giulia ; Zhang, Cui ; Gygi, Francois ; Hirao, Kimihiko ; Song, Jong Won ; Rahul, Kar ; Anatole von Lilienfeld, O. ; Podeszwa, Rafał ; Bulik, Ireneusz W. ; Henderson, Thomas M. ; Scuseria, Gustavo E. ; Toulouse, Julien ; Peverati, Roberto ; Truhlar, Donald G. ; Szalewicz, KrzysztofThe Journal of chemical physics, 2016-09, Vol.145 (12), p.124105 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
5 |
Material Type: Artigo
|
![]() |
The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challengesBaiardi, Alberto ; Reiher, MarkusThe Journal of chemical physics, 2020-01, Vol.152 (4), p.040903-040903 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
6 |
Material Type: Artigo
|
![]() |
Optimization of quantum Monte Carlo wave functions by energy minimizationToulouse, Julien ; Umrigar, C JThe Journal of chemical physics, 2007-02, Vol.126 (8), p.084102-084102 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
7 |
Material Type: Artigo
|
![]() |
SchNet – A deep learning architecture for molecules and materialsSchütt, K. T. ; Sauceda, H. E. ; Kindermans, P.-J. ; Tkatchenko, A. ; Müller, K.-R.The Journal of chemical physics, 2018-06, Vol.148 (24), p.241722-241722 [Periódico revisado por pares]United StatesTexto completo disponível |
8 |
Material Type: Artigo
|
![]() |
Perspective: Machine learning potentials for atomistic simulationsBehler, JörgThe Journal of chemical physics, 2016-11, Vol.145 (17), p.170901-170901 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
9 |
Material Type: Artigo
|
![]() |
Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansionsNguyen, Thuong T. ; Székely, Eszter ; Imbalzano, Giulio ; Behler, Jörg ; Csányi, Gábor ; Ceriotti, Michele ; Götz, Andreas W. ; Paesani, FrancescoThe Journal of chemical physics, 2018-06, Vol.148 (24), p.241725-241725 [Periódico revisado por pares]United StatesTexto completo disponível |
10 |
Material Type: Artigo
|
![]() |
Perspective: Fundamental aspects of time-dependent density functional theoryMaitra, Neepa T.The Journal of chemical physics, 2016-06, Vol.144 (22), p.220901-220901 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |