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The Journal of Physical Chemistry. B
|
February 22, 2021
Ion Dissociation Dynamics in an Aqueous Premelting Layer
Samuel P Niblett, David T Limmer
The Journal of Chemical Physics
|
October 31, 2021
Learning intermolecular forces at liquid-vapor interfaces
Samuel P Niblett, Mirza Galib, David T Limmer
Journal of Chemical Theory and Computation
|
August 26, 2017
Optimal Alignment of Structures for Finite and Periodic Systems
Matthew Griffiths, Samuel P Niblett, David J Wales
The Journal of Physical Chemistry. A
|
April 21, 2021
Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization
Atreyee Banerjee, Dipti Jasrasaria, Samuel P Niblett, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2024
The effect of ionic association on the electrochemistry of redox mediators for Li-O<sub>2</sub> batteries: developing a theoretical framework
Gabriela Horwitz, Vera Kunz, Samuel P Niblett, et al.
Journal of Chemical Theory and Computation
|
June 5, 2025
Transferability of Data Sets between Machine-Learned Interatomic Potential Algorithms
Samuel P Niblett, Panagiotis Kourtis, Ioan-Bogdan Magdău, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 25, 2024
Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes
Giovanni Pireddu, Connie J Fairchild, Samuel P Niblett, et al.
Journal of Chemical Theory and Computation
|
March 31, 2026
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity
Viktor Svahn, Ioan-Bogdan Magdău, Samuel P Niblett, et al.
Journal of the American Chemical Society
|
April 1, 2024
Understanding Sorption of Aqueous Electrolytes in Porous Carbon by NMR Spectroscopy
Dongxun Lyu, Katharina Märker, Yuning Zhou, et al.
The Journal of Chemical Physics
|
November 13, 2025
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
February 22, 2021
Ion Dissociation Dynamics in an Aqueous Premelting Layer
Samuel P Niblett, David T Limmer
The Journal of Chemical Physics
|
October 31, 2021
Learning intermolecular forces at liquid-vapor interfaces
Samuel P Niblett, Mirza Galib, David T Limmer
Journal of Chemical Theory and Computation
|
August 26, 2017
Optimal Alignment of Structures for Finite and Periodic Systems
Matthew Griffiths, Samuel P Niblett, David J Wales
The Journal of Physical Chemistry. A
|
April 21, 2021
Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization
Atreyee Banerjee, Dipti Jasrasaria, Samuel P Niblett, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2024
The effect of ionic association on the electrochemistry of redox mediators for Li-O<sub>2</sub> batteries: developing a theoretical framework
Gabriela Horwitz, Vera Kunz, Samuel P Niblett, et al.
Journal of Chemical Theory and Computation
|
June 5, 2025
Transferability of Data Sets between Machine-Learned Interatomic Potential Algorithms
Samuel P Niblett, Panagiotis Kourtis, Ioan-Bogdan Magdău, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 25, 2024
Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes
Giovanni Pireddu, Connie J Fairchild, Samuel P Niblett, et al.
Journal of Chemical Theory and Computation
|
March 31, 2026
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity
Viktor Svahn, Ioan-Bogdan Magdău, Samuel P Niblett, et al.
Journal of the American Chemical Society
|
April 1, 2024
Understanding Sorption of Aqueous Electrolytes in Porous Carbon by NMR Spectroscopy
Dongxun Lyu, Katharina Märker, Yuning Zhou, et al.
The Journal of Chemical Physics
|
November 13, 2025
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang, et al.
Page
of 1