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Journal of Chemical Theory and Computation
|
November 14, 2025
Benchmarking the <i>GW</i> Approximation against Coupled-Cluster Theory for 3<i>d</i> Transition Metals
Laura Galleni, Stef Eversdijk, Daniel Escudero, et al.
Journal of the American Chemical Society
|
February 14, 2007
Thermodynamic stability of boron: the role of defects and zero point motion
Michiel J van Setten, Matthé A Uijttewaal, Gilles A de Wijs, et al.
Journal of Chemical Theory and Computation
|
June 20, 2017
Benchmarking the Fundamental Electronic Properties of small TiO<sub>2</sub> Nanoclusters by GW and Coupled Cluster Theory Calculations
Enrico Berardo, Ferdinand Kaplan, Kiran Bhaskaran-Nair, et al.
Scientific Data
|
May 2, 2018
High-throughput density-functional perturbation theory phonons for inorganic materials
Guido Petretto, Shyam Dwaraknath, Henrique P C Miranda, et al.
The Journal of Physical Chemistry Letters
|
January 18, 2024
Peak Broadening in Photoelectron Spectroscopy of Amorphous Polymers: The Leading Role of the Electrostatic Landscape
Laura Galleni, Arne Meulemans, Faegheh S Sajjadian, et al.
ACS Applied Materials & Interfaces
|
September 5, 2025
Resolving In Situ Exposure Dynamics in a Chemically Amplified EUV Photoresist Using Table-Top EUV Photoemission Spectroscopy
Dhirendra P Singh, Laura Galleni, Faegheh S Sajjadian, et al.
Journal of Chemical Theory and Computation
|
December 9, 2015
GW100: Benchmarking G0W0 for Molecular Systems
Michiel J van Setten, Fabio Caruso, Sahar Sharifzadeh, et al.
The Journal of Chemical Physics
|
April 4, 2020
ABINIT: Overview and focus on selected capabilities
Aldo H Romero, Douglas C Allan, Bernard Amadon, et al.
Science (New York, N.Y.)
|
March 26, 2016
Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, et al.
Page
of 2
Search research articles
Search
Showing results (11-20 of 19) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 19 results.
Journal of Chemical Theory and Computation
|
November 14, 2025
Benchmarking the <i>GW</i> Approximation against Coupled-Cluster Theory for 3<i>d</i> Transition Metals
Laura Galleni, Stef Eversdijk, Daniel Escudero, et al.
Journal of the American Chemical Society
|
February 14, 2007
Thermodynamic stability of boron: the role of defects and zero point motion
Michiel J van Setten, Matthé A Uijttewaal, Gilles A de Wijs, et al.
Journal of Chemical Theory and Computation
|
June 20, 2017
Benchmarking the Fundamental Electronic Properties of small TiO<sub>2</sub> Nanoclusters by GW and Coupled Cluster Theory Calculations
Enrico Berardo, Ferdinand Kaplan, Kiran Bhaskaran-Nair, et al.
Scientific Data
|
May 2, 2018
High-throughput density-functional perturbation theory phonons for inorganic materials
Guido Petretto, Shyam Dwaraknath, Henrique P C Miranda, et al.
The Journal of Physical Chemistry Letters
|
January 18, 2024
Peak Broadening in Photoelectron Spectroscopy of Amorphous Polymers: The Leading Role of the Electrostatic Landscape
Laura Galleni, Arne Meulemans, Faegheh S Sajjadian, et al.
ACS Applied Materials & Interfaces
|
September 5, 2025
Resolving In Situ Exposure Dynamics in a Chemically Amplified EUV Photoresist Using Table-Top EUV Photoemission Spectroscopy
Dhirendra P Singh, Laura Galleni, Faegheh S Sajjadian, et al.
Journal of Chemical Theory and Computation
|
December 9, 2015
GW100: Benchmarking G0W0 for Molecular Systems
Michiel J van Setten, Fabio Caruso, Sahar Sharifzadeh, et al.
The Journal of Chemical Physics
|
April 4, 2020
ABINIT: Overview and focus on selected capabilities
Aldo H Romero, Douglas C Allan, Bernard Amadon, et al.
Science (New York, N.Y.)
|
March 26, 2016
Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, et al.
Page
of 2