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Journal of Chemical Theory and Computation
|
February 22, 2022
Assessing the Accuracy of Machine Learning Thermodynamic Perturbation Theory: Density Functional Theory and Beyond
Basile Herzog, Maurício Chagas da Silva, Bastien Casier, et al.
Journal of Chemical Theory and Computation
|
November 20, 2025
Improving the Runtime of Quantum Phase Estimation for Chemistry through Basis Set Optimization
Pauline J Ollitrault, Jérôme F Gonthier, Dario Rocca, et al.
Physical Review Letters
|
March 5, 2021
Self-Consistent Potential Correction for Charged Periodic Systems
Mauricio Chagas da Silva, Michael Lorke, Bálint Aradi, et al.
Environmental Science. Processes & Impacts
|
July 17, 2020
Photodecay of guaiacol is faster in ice, and even more rapid on ice, than in aqueous solution
Ted Hullar, Fernanda C Bononi, Zekun Chen, et al.
Journal of Chemical Theory and Computation
|
May 24, 2024
Reducing the Runtime of Fault-Tolerant Quantum Simulations in Chemistry through Symmetry-Compressed Double Factorization
Dario Rocca, Cristian L Cortes, Jérôme F Gonthier, et al.
Physical Review Letters
|
January 3, 2025
Enhancing Initial State Overlap through Orbital Optimization for Faster Molecular Electronic Ground-State Energy Estimation
Pauline J Ollitrault, Cristian L Cortes, Jérôme F Gonthier, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
February 27, 2023
Anisotropic Excitons Reveal Local Spin Chain Directions in a van der Waals Antiferromagnet
Dong Seob Kim, Di Huang, Chunhao Guo, et al.
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Search research articles
Search
Showing results (31-40 of 37) with videos related to
Sort By:
Page
of 4
You have reached the last page of results.
This site can display upto 37 results.
Journal of Chemical Theory and Computation
|
February 22, 2022
Assessing the Accuracy of Machine Learning Thermodynamic Perturbation Theory: Density Functional Theory and Beyond
Basile Herzog, Maurício Chagas da Silva, Bastien Casier, et al.
Journal of Chemical Theory and Computation
|
November 20, 2025
Improving the Runtime of Quantum Phase Estimation for Chemistry through Basis Set Optimization
Pauline J Ollitrault, Jérôme F Gonthier, Dario Rocca, et al.
Physical Review Letters
|
March 5, 2021
Self-Consistent Potential Correction for Charged Periodic Systems
Mauricio Chagas da Silva, Michael Lorke, Bálint Aradi, et al.
Environmental Science. Processes & Impacts
|
July 17, 2020
Photodecay of guaiacol is faster in ice, and even more rapid on ice, than in aqueous solution
Ted Hullar, Fernanda C Bononi, Zekun Chen, et al.
Journal of Chemical Theory and Computation
|
May 24, 2024
Reducing the Runtime of Fault-Tolerant Quantum Simulations in Chemistry through Symmetry-Compressed Double Factorization
Dario Rocca, Cristian L Cortes, Jérôme F Gonthier, et al.
Physical Review Letters
|
January 3, 2025
Enhancing Initial State Overlap through Orbital Optimization for Faster Molecular Electronic Ground-State Energy Estimation
Pauline J Ollitrault, Cristian L Cortes, Jérôme F Gonthier, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
February 27, 2023
Anisotropic Excitons Reveal Local Spin Chain Directions in a van der Waals Antiferromagnet
Dong Seob Kim, Di Huang, Chunhao Guo, et al.
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of 4