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The Journal of Chemical Physics
|
July 16, 2025
Implicit neural representations for chemical reaction paths
Kalyan Ramakrishnan, Lars L Schaaf, Chen Lin, et al.
The Journal of Chemical Physics
|
December 15, 2025
Multi-head committees enable direct uncertainty prediction for atomistic foundation models
Hubert Beck, Pavol Simko, Lars L Schaaf, et al.
Solid State Nuclear Magnetic Resonance
|
April 13, 2026
<sup>17</sup>O-<sup>1</sup>H correlation NMR spectroscopy provides accessible and direct insights into CO<sub>2</sub> capture chemistry
Benjamin J Rhodes, Jennifer S Gómez, Jordon S Hilliard, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 20, 2024
<sup>17</sup>O NMR Spectroscopy Reveals CO<sub>2</sub> Speciation and Dynamics in Hydroxide-Based Carbon Capture Materials
Benjamin J Rhodes, Lars L Schaaf, Mary E Zick, et al.
Biorxiv : the Preprint Server for Biology
|
August 20, 2025
Accelerating Biomolecular Modeling with AtomWorks and RF3
Nathaniel Corley, Simon Mathis, Rohith Krishna, 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 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
July 16, 2025
Implicit neural representations for chemical reaction paths
Kalyan Ramakrishnan, Lars L Schaaf, Chen Lin, et al.
The Journal of Chemical Physics
|
December 15, 2025
Multi-head committees enable direct uncertainty prediction for atomistic foundation models
Hubert Beck, Pavol Simko, Lars L Schaaf, et al.
Solid State Nuclear Magnetic Resonance
|
April 13, 2026
<sup>17</sup>O-<sup>1</sup>H correlation NMR spectroscopy provides accessible and direct insights into CO<sub>2</sub> capture chemistry
Benjamin J Rhodes, Jennifer S Gómez, Jordon S Hilliard, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 20, 2024
<sup>17</sup>O NMR Spectroscopy Reveals CO<sub>2</sub> Speciation and Dynamics in Hydroxide-Based Carbon Capture Materials
Benjamin J Rhodes, Lars L Schaaf, Mary E Zick, et al.
Biorxiv : the Preprint Server for Biology
|
August 20, 2025
Accelerating Biomolecular Modeling with AtomWorks and RF3
Nathaniel Corley, Simon Mathis, Rohith Krishna, 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