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Highly efficient energy excitation transfer in light-harvesting complexes: The fundamental role of noise-assisted transport
Highly efficient energy excitation transfer in light-harvesting complexes: The fundamental role of noise-assisted transport
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Highly efficient energy excitation transfer in light-harvesting complexes: The fundamental role of noise-assisted transport

Caruso, 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 Society

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2
Perspective: Machine learning potentials for atomistic simulations
Perspective: Machine learning potentials for atomistic simulations
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Perspective: Machine learning potentials for atomistic simulations

Behler, Jörg

The Journal of chemical physics, 2016-11, Vol.145 (17), p.170901-170901 [Periódico revisado por pares]

United States: American Institute of Physics

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3
Extending the accuracy of the SNAP interatomic potential form
Extending the accuracy of the SNAP interatomic potential form
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Extending the accuracy of the SNAP interatomic potential form

Wood, 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)

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4
Recent developments in the general atomic and molecular electronic structure system
Recent developments in the general atomic and molecular electronic structure system
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Recent developments in the general atomic and molecular electronic structure system

Barca, Giuseppe M. J. ; Bertoni, Colleen ; Carrington, Laura ; Datta, Dipayan ; De Silva, Nuwan ; Deustua, J. Emiliano ; Fedorov, Dmitri G. ; Gour, Jeffrey R. ; Gunina, Anastasia O. ; Guidez, Emilie ; Harville, Taylor ; Irle, Stephan ; Ivanic, Joe ; Kowalski, Karol ; Leang, Sarom S. ; Li, Hui ; Li, Wei ; Lutz, Jesse J. ; Magoulas, Ilias ; Mato, Joani ; Mironov, Vladimir ; Nakata, Hiroya ; Pham, Buu Q. ; Piecuch, Piotr ; Poole, David ; Pruitt, Spencer R. ; Rendell, Alistair P. ; Roskop, Luke B. ; Ruedenberg, Klaus ; Sattasathuchana, Tosaporn ; Schmidt, Michael W. ; Shen, Jun ; Slipchenko, Lyudmila ; Sosonkina, Masha ; Sundriyal, Vaibhav ; Tiwari, Ananta ; Galvez Vallejo, Jorge L. ; Westheimer, Bryce ; Włoch, Marta ; Xu, Peng ; Zahariev, Federico ; Gordon, Mark S.

The Journal of chemical physics, 2020-04, Vol.152 (15), p.154102-154102 [Periódico revisado por pares]

United States: American Institute of Physics

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5
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

Balasubramani, Sree Ganesh ; Chen, Guo P. ; Coriani, Sonia ; Diedenhofen, Michael ; Frank, Marius S. ; Franzke, Yannick J. ; Furche, Filipp ; Grotjahn, Robin ; Harding, Michael E. ; Hättig, Christof ; Hellweg, Arnim ; Helmich-Paris, Benjamin ; Holzer, Christof ; Huniar, Uwe ; Kaupp, Martin ; Marefat Khah, Alireza ; Karbalaei Khani, Sarah ; Müller, Thomas ; Mack, Fabian ; Nguyen, Brian D. ; Parker, Shane M. ; Perlt, Eva ; Rappoport, Dmitrij ; Reiter, Kevin ; Roy, Saswata ; Rückert, Matthias ; Schmitz, Gunnar ; Sierka, Marek ; Tapavicza, Enrico ; Tew, David P. ; van Wüllen, Christoph ; Voora, Vamsee K. ; Weigend, Florian ; Wodyński, Artur ; Yu, Jason M.

The Journal of chemical physics, 2020-05, Vol.152 (18), p.184107-184107 [Periódico revisado por pares]

United States: American Institute of Physics

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6
The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges
The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges
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The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges

Baiardi, Alberto ; Reiher, Markus

The Journal of chemical physics, 2020-01, Vol.152 (4), p.040903-040903 [Periódico revisado por pares]

United States: American Institute of Physics

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7
Enhanced sampling in molecular dynamics
Enhanced sampling in molecular dynamics
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Enhanced sampling in molecular dynamics

Yang, Yi Isaac ; Shao, Qiang ; Zhang, Jun ; Yang, Lijiang ; Gao, Yi Qin

The Journal of chemical physics, 2019-08, Vol.151 (7), p.070902-070902 [Periódico revisado por pares]

United States: American Institute of Physics

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8
TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
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TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

Nakano, Kousuke ; Attaccalite, Claudio ; Barborini, Matteo ; Capriotti, Luca ; Casula, Michele ; Coccia, Emanuele ; Dagrada, Mario ; Genovese, Claudio ; Luo, Ye ; Mazzola, Guglielmo ; Zen, Andrea ; Sorella, Sandro

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204121-204121 [Periódico revisado por pares]

Melville: American Institute of Physics

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9
Synthesis, characterization and application of Co/Co3O4 nanocomposites as an effective photocatalyst for discoloration of organic dye contaminants in wastewater and antibacterial properties
Synthesis, characterization and application of Co/Co3O4 nanocomposites as an effective photocatalyst for discoloration of organic dye contaminants in wastewater and antibacterial properties
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Synthesis, characterization and application of Co/Co3O4 nanocomposites as an effective photocatalyst for discoloration of organic dye contaminants in wastewater and antibacterial properties

Yousefi, Seyede Raheleh ; Alshamsi, Hassan Abbas ; Amiri, Omid ; Salavati-Niasari, Masoud

Journal of molecular liquids, 2021-09, Vol.337, p.116405, Article 116405 [Periódico revisado por pares]

Elsevier B.V

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10
SchNet – A deep learning architecture for molecules and materials
SchNet – A deep learning architecture for molecules and materials
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SchNet – A deep learning architecture for molecules and materials

Schütt, 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 States

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