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Understanding size dependence of phase stability and band gap in CsPbI3 perovskite nanocrystals
Understanding size dependence of phase stability and band gap in CsPbI3 perovskite nanocrystals
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Understanding size dependence of phase stability and band gap in CsPbI3 perovskite nanocrystals

Yang, Ruo Xi ; Tan, Liang Z.

The Journal of chemical physics, 2020-01, Vol.152 (3), p.034702-034702 [Periódico revisado por pares]

Melville: American Institute of Physics

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12
Non-adiabatic dynamics of molecules in optical cavities
Non-adiabatic dynamics of molecules in optical cavities
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Non-adiabatic dynamics of molecules in optical cavities

Kowalewski, Markus ; Bennett, Kochise ; Mukamel, Shaul

The Journal of chemical physics, 2016-02, Vol.144 (5), p.054309-054309 [Periódico revisado por pares]

United States: American Institute of Physics

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13
Hierarchical visualization of materials space with graph convolutional neural networks
Hierarchical visualization of materials space with graph convolutional neural networks
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Hierarchical visualization of materials space with graph convolutional neural networks

Xie, Tian ; Grossman, Jeffrey C.

The Journal of chemical physics, 2018-11, Vol.149 (17), p.174111-174111 [Periódico revisado por pares]

United States: American Institute of Physics

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14
Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites
Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites
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Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites

Yang, Ruo Xi ; Skelton, Jonathan M. ; da Silva, Estelina L. ; Frost, Jarvist M. ; Walsh, Aron

The Journal of chemical physics, 2020-01, Vol.152 (2), p.024703-024703 [Periódico revisado por pares]

United States: American Institute of Physics

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15
Understanding the bonding mechanisms of organic molecules deposited on graphene for biosensing applications
Understanding the bonding mechanisms of organic molecules deposited on graphene for biosensing applications
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Understanding the bonding mechanisms of organic molecules deposited on graphene for biosensing applications

Legge, Elizabeth J. ; Ali, Muhammad M. ; Abbasi, Hina Y. ; Reed, Benjamen P. ; Brennan, Barry ; Matjačić, Lidija ; Tehrani, Zari ; Stolojan, Vlad ; Silva, S. Ravi P. ; Guy, Owen J. ; Pollard, Andrew J.

The Journal of chemical physics, 2021-11, Vol.155 (17), p.174703-174703 [Periódico revisado por pares]

United States: American Institute of Physics

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16
A new approach to approximate equation-of-motion coupled cluster with triple excitations
A new approach to approximate equation-of-motion coupled cluster with triple excitations
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A new approach to approximate equation-of-motion coupled cluster with triple excitations

Matthews, Devin A. ; Stanton, John F.

The Journal of chemical physics, 2016-09, Vol.145 (12), p.124102-124102 [Periódico revisado por pares]

United States: American Institute of Physics

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17
Perspective: Spectroscopy and kinetics of small gaseous Criegee intermediates
Perspective: Spectroscopy and kinetics of small gaseous Criegee intermediates
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Perspective: Spectroscopy and kinetics of small gaseous Criegee intermediates

Lee, Yuan-Pern

The Journal of chemical physics, 2015-07, Vol.143 (2), p.020901-020901 [Periódico revisado por pares]

United States: American Institute of Physics

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18
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
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A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

Fisicaro, G ; Genovese, L ; Andreussi, O ; Marzari, N ; Goedecker, S

The Journal of chemical physics, 2016-01, Vol.144 (1), p.014103-014103 [Periódico revisado por pares]

United States: American Institute of Physics

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19
SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory
SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory
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SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

Guo, Yang ; Sivalingam, Kantharuban ; Valeev, Edward F. ; Neese, Frank

The Journal of chemical physics, 2016-03, Vol.144 (9), p.094111-094111 [Periódico revisado por pares]

United States: American Institute of Physics

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20
Generalized quantum master equations in and out of equilibrium: When can one win?
Generalized quantum master equations in and out of equilibrium: When can one win?
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Generalized quantum master equations in and out of equilibrium: When can one win?

Kelly, Aaron ; Montoya-Castillo, Andrés ; Wang, Lu ; Markland, Thomas E.

The Journal of chemical physics, 2016-05, Vol.144 (18), p.184105-184105 [Periódico revisado por pares]

United States: American Institute of Physics

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