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Physical Chemistry Chemical Physics : PCCP
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September 21, 2017
General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M Roch, Kim K Baldridge
Journal of Chemical Theory and Computation
|
May 25, 2017
Dispersion-Corrected Spin-Component-Scaled Double-Hybrid Density Functional Theory: Implementation and Performance for Non-covalent Interactions
Loïc M Roch, Kim K Baldridge
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2018
Correction: General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M Roch, Kim K Baldridge
Chemical Science
|
November 6, 2018
Chimera: enabling hierarchy based multi-objective optimization for self-driving laboratories
Florian Häse, Loïc M Roch, Alán Aspuru-Guzik
ACS Central Science
|
October 3, 2018
Phoenics: A Bayesian Optimizer for Chemistry
Florian Häse, Loïc M Roch, Christoph Kreisbeck, et al.
Nature Communications
|
September 12, 2020
Designing and understanding light-harvesting devices with machine learning
Florian Häse, Loïc M Roch, Pascal Friederich, et al.
Chimia
|
December 4, 2023
How to Accelerate R&D and Optimize Experiment Planning with Machine Learning and Data Science
Daniel Pacheco Gutierrez, Linnea M Folkmann, Hermann Tribukait, et al.
Organic Letters
|
April 18, 2019
Azaindenocorannulenes: Synthesis, Properties, and Chirality
Xiaoqi Tian, Loïc M Roch, Nicolas Vanthuyne, et al.
Chemical Communications (Cambridge, England)
|
June 10, 2021
Unexpected three-state hydrochromism of a donor-acceptor self-complex with fluctuations in relative humidity
Zhimin Sun, Zhenzhen Wang, Yanhai Ni, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
December 6, 2016
Toward Accurate Adsorption Energetics on Clay Surfaces
Andrea Zen, Loïc M Roch, Stephen J Cox, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2017
General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M Roch, Kim K Baldridge
Journal of Chemical Theory and Computation
|
May 25, 2017
Dispersion-Corrected Spin-Component-Scaled Double-Hybrid Density Functional Theory: Implementation and Performance for Non-covalent Interactions
Loïc M Roch, Kim K Baldridge
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2018
Correction: General optimization procedure towards the design of a new family of minimal parameter spin-component-scaled double-hybrid density functional theory
Loïc M Roch, Kim K Baldridge
Chemical Science
|
November 6, 2018
Chimera: enabling hierarchy based multi-objective optimization for self-driving laboratories
Florian Häse, Loïc M Roch, Alán Aspuru-Guzik
ACS Central Science
|
October 3, 2018
Phoenics: A Bayesian Optimizer for Chemistry
Florian Häse, Loïc M Roch, Christoph Kreisbeck, et al.
Nature Communications
|
September 12, 2020
Designing and understanding light-harvesting devices with machine learning
Florian Häse, Loïc M Roch, Pascal Friederich, et al.
Chimia
|
December 4, 2023
How to Accelerate R&D and Optimize Experiment Planning with Machine Learning and Data Science
Daniel Pacheco Gutierrez, Linnea M Folkmann, Hermann Tribukait, et al.
Organic Letters
|
April 18, 2019
Azaindenocorannulenes: Synthesis, Properties, and Chirality
Xiaoqi Tian, Loïc M Roch, Nicolas Vanthuyne, et al.
Chemical Communications (Cambridge, England)
|
June 10, 2021
Unexpected three-state hydrochromism of a donor-acceptor self-complex with fluctuations in relative humidity
Zhimin Sun, Zhenzhen Wang, Yanhai Ni, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
December 6, 2016
Toward Accurate Adsorption Energetics on Clay Surfaces
Andrea Zen, Loïc M Roch, Stephen J Cox, et al.
Page
of 3