Search research articles
Contact Us
Filters
Showing results (11-20 of 20) with videos related to
Page
of 2
Sort By:
You have reached the last page of results.
This site can display upto 20 results.
Nature Computational Science
|
January 4, 2024
Chemical reaction networks and opportunities for machine learning
Mingjian Wen, Evan Walter Clark Spotte-Smith, Samuel M Blau, et al.
Chemical Science
|
May 22, 2018
Disentanglement of excited-state dynamics with implications for FRET measurements: two-dimensional electronic spectroscopy of a BODIPY-functionalized cavitand
John P Otto, Lili Wang, Igor Pochorovski, et al.
Inorganic Chemistry
|
October 30, 2009
Noncentrosymmetry in new templated gallium fluorophosphates
Sarah J Choyke, Samuel M Blau, Abigail A Larner, et al.
Scientific Data
|
August 6, 2021
Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
Evan Walter Clark Spotte-Smith, Samuel M Blau, Xiaowei Xie, et al.
Nature Communications
|
October 14, 2024
Analytical ab initio hessian from a deep learning potential for transition state optimization
Eric C-Y Yuan, Anup Kumar, Xingyi Guan, et al.
Nature Computational Science
|
December 8, 2025
Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs
Eric Sivonxay, Lucas Attia, Evan Walter Clark Spotte-Smith, et al.
Journal of Chemical Information and Modeling
|
April 4, 2025
HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions
Rishabh D Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, et al.
Journal of the American Chemical Society
|
May 26, 2023
Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries
Evan Walter Clark Spotte-Smith, Samuel M Blau, Daniel Barter, et al.
Nature Reviews. Chemistry
|
February 11, 2026
Foundation models for atomistic simulation of chemistry and materials
Eric C-Y Yuan, Yunsheng Liu, Junmin Chen, 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 2
Search research articles
Search
Showing results (11-20 of 20) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 20 results.
Nature Computational Science
|
January 4, 2024
Chemical reaction networks and opportunities for machine learning
Mingjian Wen, Evan Walter Clark Spotte-Smith, Samuel M Blau, et al.
Chemical Science
|
May 22, 2018
Disentanglement of excited-state dynamics with implications for FRET measurements: two-dimensional electronic spectroscopy of a BODIPY-functionalized cavitand
John P Otto, Lili Wang, Igor Pochorovski, et al.
Inorganic Chemistry
|
October 30, 2009
Noncentrosymmetry in new templated gallium fluorophosphates
Sarah J Choyke, Samuel M Blau, Abigail A Larner, et al.
Scientific Data
|
August 6, 2021
Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
Evan Walter Clark Spotte-Smith, Samuel M Blau, Xiaowei Xie, et al.
Nature Communications
|
October 14, 2024
Analytical ab initio hessian from a deep learning potential for transition state optimization
Eric C-Y Yuan, Anup Kumar, Xingyi Guan, et al.
Nature Computational Science
|
December 8, 2025
Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs
Eric Sivonxay, Lucas Attia, Evan Walter Clark Spotte-Smith, et al.
Journal of Chemical Information and Modeling
|
April 4, 2025
HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions
Rishabh D Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, et al.
Journal of the American Chemical Society
|
May 26, 2023
Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries
Evan Walter Clark Spotte-Smith, Samuel M Blau, Daniel Barter, et al.
Nature Reviews. Chemistry
|
February 11, 2026
Foundation models for atomistic simulation of chemistry and materials
Eric C-Y Yuan, Yunsheng Liu, Junmin Chen, 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 2