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ACS Applied Materials & Interfaces
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August 23, 2017
Structural Transformation of Li-Excess Cathode Materials via Facile Preparation and Assembly of Sonication-Induced Colloidal Nanocrystals for Enhanced Lithium Storage Performance
Jianqing Zhao, Ruiming Huang, Pablo Ramos, et al.
The Journal of Physical Chemistry Letters
|
April 22, 2021
Efficient DFT Solver for Nanoscale Simulations and Beyond
Xuecheng Shao, Wenhui Mi, Michele Pavanello
The Journal of Chemical Physics
|
June 24, 2016
Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical
Alessandro Genova, Davide Ceresoli, Michele Pavanello
The Journal of Physical Chemistry Letters
|
July 28, 2022
Density Embedding Method for Nanoscale Molecule-Metal Interfaces
Xuecheng Shao, Wenhui Mi, Michele Pavanello
The Journal of Chemical Physics
|
August 3, 2014
FDE-vdW: A van der Waals inclusive subsystem density-functional theory
Ruslan Kevorkyants, Henk Eshuis, Michele Pavanello
The Journal of Chemical Physics
|
November 10, 2014
Periodic subsystem density-functional theory
Alessandro Genova, Davide Ceresoli, Michele Pavanello
The Journal of Chemical Physics
|
May 17, 2018
Nonlocal kinetic energy functionals by functional integration
Wenhui Mi, Alessandro Genova, Michele Pavanello
The Journal of Chemical Physics
|
May 23, 2012
Spin densities from subsystem density-functional theory: assessment and application to a photosynthetic reaction center complex model
Alisa Solovyeva, Michele Pavanello, Johannes Neugebauer
The Journal of Chemical Physics
|
May 3, 2014
Describing long-range charge-separation processes with subsystem density-functional theory
Alisa Solovyeva, Michele Pavanello, Johannes Neugebauer
Journal of Chemical Theory and Computation
|
May 13, 2021
GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals
Xuecheng Shao, Wenhui Mi, Michele Pavanello
Page
of 24
Search research articles
Search
Showing results (21-30 of 236) with videos related to
Sort By:
Page
of 24
ACS Applied Materials & Interfaces
|
August 23, 2017
Structural Transformation of Li-Excess Cathode Materials via Facile Preparation and Assembly of Sonication-Induced Colloidal Nanocrystals for Enhanced Lithium Storage Performance
Jianqing Zhao, Ruiming Huang, Pablo Ramos, et al.
The Journal of Physical Chemistry Letters
|
April 22, 2021
Efficient DFT Solver for Nanoscale Simulations and Beyond
Xuecheng Shao, Wenhui Mi, Michele Pavanello
The Journal of Chemical Physics
|
June 24, 2016
Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical
Alessandro Genova, Davide Ceresoli, Michele Pavanello
The Journal of Physical Chemistry Letters
|
July 28, 2022
Density Embedding Method for Nanoscale Molecule-Metal Interfaces
Xuecheng Shao, Wenhui Mi, Michele Pavanello
The Journal of Chemical Physics
|
August 3, 2014
FDE-vdW: A van der Waals inclusive subsystem density-functional theory
Ruslan Kevorkyants, Henk Eshuis, Michele Pavanello
The Journal of Chemical Physics
|
November 10, 2014
Periodic subsystem density-functional theory
Alessandro Genova, Davide Ceresoli, Michele Pavanello
The Journal of Chemical Physics
|
May 17, 2018
Nonlocal kinetic energy functionals by functional integration
Wenhui Mi, Alessandro Genova, Michele Pavanello
The Journal of Chemical Physics
|
May 23, 2012
Spin densities from subsystem density-functional theory: assessment and application to a photosynthetic reaction center complex model
Alisa Solovyeva, Michele Pavanello, Johannes Neugebauer
The Journal of Chemical Physics
|
May 3, 2014
Describing long-range charge-separation processes with subsystem density-functional theory
Alisa Solovyeva, Michele Pavanello, Johannes Neugebauer
Journal of Chemical Theory and Computation
|
May 13, 2021
GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals
Xuecheng Shao, Wenhui Mi, Michele Pavanello
Page
of 24