Showing results (41-50 of 45) with videos related to
Sort By:
Pageof 5
You have reached the last page of results.This site can display upto 45 results.
Journal of Chemical Theory and Computation|February 21, 2024
Formic Acid-Ammonia Heterodimer: A New Δ-Machine Learning CCSD(T)-Level Potential Energy Surface Allows Investigation of the Double Proton TransferPaul L Houston, Chen Qu, Qi Yu, et al.Nature Computational Science|April 14, 2025
Extending atomic decomposition and many-body representation with a chemistry-motivated approach to machine learning potentialsQi Yu, Ruitao Ma, Chen Qu, et al.The Journal of Physical Chemistry Letters|April 16, 2024
Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Exemplified for GlycineFuchun Ge, Ran Wang, Chen Qu, et al.Nature Communications|November 5, 2024
On the nature of hydrogen bonding in the H<sub>2</sub>S dimerSvenja Jäger, Jai Khatri, Philipp Meyer, et al.Journal of the American Chemical Society|April 20, 2023
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake HandsApurba Nandi, Gabriel Laude, Subodh S Khire, et al.Pageof 5