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Chemical Science
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October 14, 2024
Automated electrosynthesis reaction mining with multimodal large language models (MLLMs)
Shi Xuan Leong, Sergio Pablo-García, Zijian Zhang, et al.
Digital Discovery
|
March 23, 2026
Database utility for cyclovoltammetry knowledge (DUCK): unified platform for electrochemical data
Diego Garay-Ruiz, Sergio Pablo-García, Han Hao, et al.
The Journal of Chemical Physics
|
October 23, 2017
An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis
Josep Maria Bofill, Jordi Ribas-Ariño, Sergio Pablo García, et al.
Nature Reviews. Chemistry
|
July 18, 2025
Developing machine learning for heterogeneous catalysis with experimental and computational data
Carlota Bozal-Ginesta, Sergio Pablo-García, Changhyeok Choi, et al.
Journal of the American Chemical Society
|
November 17, 2025
Bulky Phosphine Ligands Promote Palladium-Catalyzed Protodeboronation
Cher Tian Ser, Han Hao, Sergio Pablo-García, et al.
Nature Computational Science
|
January 4, 2024
Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks
Sergio Pablo-García, Santiago Morandi, Rodrigo A Vargas-Hernández, et al.
ACS Nano
|
May 12, 2026
Adsorption Hysteresis Under Control: Tuning Host-Guest Interactions via a Genetic Algorithm
Jesse L Prelesnik, Filip Formalik, Samantha Corapi, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
January 19, 2021
Nuclearity and Host Effects of Carbon-Supported Platinum Catalysts for Dibromomethane Hydrodebromination
Ali J Saadun, Selina K Kaiser, Andrea Ruiz-Ferrando, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
May 25, 2024
In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back
Abdulrahman Aldossary, Jorge Arturo Campos-Gonzalez-Angulo, Sergio Pablo-García, et al.
Faraday Discussions
|
October 14, 2024
Spiers Memorial Lecture: How to do impactful research in artificial intelligence for chemistry and materials science
Austin H Cheng, Cher Tian Ser, Marta Skreta, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Chemical Science
|
October 14, 2024
Automated electrosynthesis reaction mining with multimodal large language models (MLLMs)
Shi Xuan Leong, Sergio Pablo-García, Zijian Zhang, et al.
Digital Discovery
|
March 23, 2026
Database utility for cyclovoltammetry knowledge (DUCK): unified platform for electrochemical data
Diego Garay-Ruiz, Sergio Pablo-García, Han Hao, et al.
The Journal of Chemical Physics
|
October 23, 2017
An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis
Josep Maria Bofill, Jordi Ribas-Ariño, Sergio Pablo García, et al.
Nature Reviews. Chemistry
|
July 18, 2025
Developing machine learning for heterogeneous catalysis with experimental and computational data
Carlota Bozal-Ginesta, Sergio Pablo-García, Changhyeok Choi, et al.
Journal of the American Chemical Society
|
November 17, 2025
Bulky Phosphine Ligands Promote Palladium-Catalyzed Protodeboronation
Cher Tian Ser, Han Hao, Sergio Pablo-García, et al.
Nature Computational Science
|
January 4, 2024
Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks
Sergio Pablo-García, Santiago Morandi, Rodrigo A Vargas-Hernández, et al.
ACS Nano
|
May 12, 2026
Adsorption Hysteresis Under Control: Tuning Host-Guest Interactions via a Genetic Algorithm
Jesse L Prelesnik, Filip Formalik, Samantha Corapi, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
January 19, 2021
Nuclearity and Host Effects of Carbon-Supported Platinum Catalysts for Dibromomethane Hydrodebromination
Ali J Saadun, Selina K Kaiser, Andrea Ruiz-Ferrando, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
May 25, 2024
In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back
Abdulrahman Aldossary, Jorge Arturo Campos-Gonzalez-Angulo, Sergio Pablo-García, et al.
Faraday Discussions
|
October 14, 2024
Spiers Memorial Lecture: How to do impactful research in artificial intelligence for chemistry and materials science
Austin H Cheng, Cher Tian Ser, Marta Skreta, et al.
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of 2