Search research articles
Contact Us
Filters
Showing results (1-10 of 7) with videos related to
Page
of 1
Sort By:
ACS Electrochemistry
|
July 10, 2025
Challenges in the Theory and Atomistic Simulation of Metal Electrodeposition
Shayantan Chaudhuri, Reinhard J Maurer
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
August 23, 2023
Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces
Shayantan Chaudhuri, Andrew J Logsdail, Reinhard J Maurer
Digital Discovery
|
September 12, 2022
Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic-inorganic interfaces
Julia Westermayr, Shayantan Chaudhuri, Andreas Jeindl, et al.
Journal of Chemical Information and Modeling
|
September 12, 2024
Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors
Shayantan Chaudhuri, David M Rogers, Christopher J Hayes, et al.
The Journal of Chemical Physics
|
November 7, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
Jan Hermann, Martin Stöhr, Szabolcs Góger, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2025
Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum Computing
Shayantan Chaudhuri, Bang C Huynh, Ross Amory, et al.
Nature Communications
|
December 8, 2021
Adiabatic versus non-adiabatic electron transfer at 2D electrode materials
Dan-Qing Liu, Minkyung Kang, David Perry, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
ACS Electrochemistry
|
July 10, 2025
Challenges in the Theory and Atomistic Simulation of Metal Electrodeposition
Shayantan Chaudhuri, Reinhard J Maurer
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
August 23, 2023
Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces
Shayantan Chaudhuri, Andrew J Logsdail, Reinhard J Maurer
Digital Discovery
|
September 12, 2022
Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic-inorganic interfaces
Julia Westermayr, Shayantan Chaudhuri, Andreas Jeindl, et al.
Journal of Chemical Information and Modeling
|
September 12, 2024
Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors
Shayantan Chaudhuri, David M Rogers, Christopher J Hayes, et al.
The Journal of Chemical Physics
|
November 7, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
Jan Hermann, Martin Stöhr, Szabolcs Góger, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2025
Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum Computing
Shayantan Chaudhuri, Bang C Huynh, Ross Amory, et al.
Nature Communications
|
December 8, 2021
Adiabatic versus non-adiabatic electron transfer at 2D electrode materials
Dan-Qing Liu, Minkyung Kang, David Perry, et al.
Page
of 1