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The Journal of Physical Chemistry Letters
|
November 13, 2018
Excitation Energies of Localized Correlated Defects via Quantum Monte Carlo: A Case Study of Mn<sup>4+</sup>-Doped Phosphors
Kayahan Saritas, Wenmei Ming, Mao-Hua Du, et al.
The Journal of Chemical Physics
|
September 1, 2014
Oxygen diffusion pathways in brownmillerite SrCoO2.5: influence of structure and chemical potential
Chandrima Mitra, Tricia Meyer, Ho Nyung Lee, et al.
Scientific Reports
|
September 13, 2017
Designing functionality in perovskite thin films using ion implantation techniques: Assessment and insights from first-principles calculations
Vinit Sharma, Andreas Herklotz, Thomas Zac Ward, et al.
Scientific Reports
|
September 26, 2025
Multireference diffusion Monte Carlo reaches 2D materials
Nicole Spanedda, Anouar Benali, Fernando A Reboredo, et al.
The Journal of Chemical Physics
|
September 19, 2023
Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state
Fernando A Reboredo, Paul R C Kent, Jaron T Krogel
Journal of Chemical Theory and Computation
|
December 17, 2019
Electron Confinement and Magnetism of (LaTiO<sub>3</sub>)<sub>1</sub>/(SrTiO<sub>3</sub>)<sub>5</sub> Heterostructure: A Diffusion Quantum Monte Carlo Study
Juan A Santana, Jaron T Krogel, Satoshi Okamoto, et al.
The Journal of Chemical Physics
|
November 2, 2015
Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO
Chandrima Mitra, Jaron T Krogel, Juan A Santana, et al.
Journal of Chemical Theory and Computation
|
January 10, 2022
High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo Method
M Chandler Bennett, Fernando A Reboredo, Lubos Mitas, et al.
Scientific Reports
|
August 25, 2016
Tunable magnetism in metal adsorbed fluorinated nanoporous graphene
Pankaj Kumar, Vinit Sharma, Fernando A Reboredo, et al.
The Journal of Chemical Physics
|
November 3, 2014
Successes and failures of Hubbard-corrected density functional theory: the case of Mg doped LiCoO2
Juan A Santana, Jeongnim Kim, P R C Kent, et al.
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of 4
Search research articles
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Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry Letters
|
November 13, 2018
Excitation Energies of Localized Correlated Defects via Quantum Monte Carlo: A Case Study of Mn<sup>4+</sup>-Doped Phosphors
Kayahan Saritas, Wenmei Ming, Mao-Hua Du, et al.
The Journal of Chemical Physics
|
September 1, 2014
Oxygen diffusion pathways in brownmillerite SrCoO2.5: influence of structure and chemical potential
Chandrima Mitra, Tricia Meyer, Ho Nyung Lee, et al.
Scientific Reports
|
September 13, 2017
Designing functionality in perovskite thin films using ion implantation techniques: Assessment and insights from first-principles calculations
Vinit Sharma, Andreas Herklotz, Thomas Zac Ward, et al.
Scientific Reports
|
September 26, 2025
Multireference diffusion Monte Carlo reaches 2D materials
Nicole Spanedda, Anouar Benali, Fernando A Reboredo, et al.
The Journal of Chemical Physics
|
September 19, 2023
Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state
Fernando A Reboredo, Paul R C Kent, Jaron T Krogel
Journal of Chemical Theory and Computation
|
December 17, 2019
Electron Confinement and Magnetism of (LaTiO<sub>3</sub>)<sub>1</sub>/(SrTiO<sub>3</sub>)<sub>5</sub> Heterostructure: A Diffusion Quantum Monte Carlo Study
Juan A Santana, Jaron T Krogel, Satoshi Okamoto, et al.
The Journal of Chemical Physics
|
November 2, 2015
Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO
Chandrima Mitra, Jaron T Krogel, Juan A Santana, et al.
Journal of Chemical Theory and Computation
|
January 10, 2022
High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo Method
M Chandler Bennett, Fernando A Reboredo, Lubos Mitas, et al.
Scientific Reports
|
August 25, 2016
Tunable magnetism in metal adsorbed fluorinated nanoporous graphene
Pankaj Kumar, Vinit Sharma, Fernando A Reboredo, et al.
The Journal of Chemical Physics
|
November 3, 2014
Successes and failures of Hubbard-corrected density functional theory: the case of Mg doped LiCoO2
Juan A Santana, Jeongnim Kim, P R C Kent, et al.
Page
of 4