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Catalysis

Working Paper

Fast Evaluation of the Adsorption Energy of Organic Molecules on Metals via Graph Neural Networks

Sergio Pablo-García, Santiago Morandi, Rodrigo Alejandro Vargas-Hernández, Kjell Jorner, Núria López, Alán Aspuru-Guzik

Version 1 posted 06 October 2022

600

Downloads

Materials Chemistry

Working Paper

ChemOS 2.0: an orchestration architecture for chemical self-driving laboratories

Malcolm Sim, Mohammad Ghazi Vakili, Felix Strieth-Kalthoff, Han Hao, Riley Hickman, Santiago Miret, Sergio Pablo-García, Alán Aspuru-Guzik

Version 1 posted 07 August 2023

1,853

Downloads

10

Citations

Nanoscience

Working Paper

One Step Photochemical Synthesis of Surface-Supported Naked Gold Nanoparticles and Its Application as a SERS Substrate

Pablo A. Mercadal, Sergio David Garcia Schejtman, Fernando P. Cometto, Alicia V. Veglia, Eduardo A. Coronado

Version 1 posted 28 January 2021

310

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Analytical Chemistry

Working Paper

Does one need to polish electrodes in an eight pattern? Automation provides the answer.

Naruki Yoshikawa, Gun Deniz Akkoc, Sergio Pablo-García, Yang Cao, Han Hao, Alán Aspuru-Guzik

Version 1 posted 13 February 2024

378

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Theoretical and Computational Chemistry

Working Paper

Atlas: A Brain for Self-driving Laboratories

Riley Hickman, Malcolm Sim, Sergio Pablo-García, Ivan Woolhouse, Han Hao, Zeqing Bao, Pauric Bannigan, Christine Allen, Matteo Aldeghi, Alán Aspuru-Guzik

Version 1 posted 05 September 2023

1,236

Downloads

3

Citations

Analytical Chemistry

Working Paper

An affordable platform for automated synthesis and electrochemical characterization

Sergio Pablo-García, Ángel García, Gun Deniz Akkoc, Malcolm Sim, Yang Cao, Maxine Somers, Chance Hattrick, Naruki Yoshikawa, Dominik Dworschak, Han Hao, Alán Aspuru-Guzik

Version 1 posted 09 February 2024

779

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Theoretical and Computational Chemistry

Review

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-Garcia, Shi Xuan Leong, Ella Miray Rajaonson, Luca Thiede, Gary Tom, Andrew Wang, Davide Avagliano, Alan Aspuru-Guzik

Version 2 posted 02 May 2024

1,338

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Catalysis

Working Paper

rNets: A standalone package to visualize reaction networks.

Sergio Pablo-García, Raúl Pérez-Soto, Albert Sabadell-Rendón, Diego Garay-Ruiz, Vladyslav Nosylevskyi, Nuria López

Version 1 posted 03 April 2024

298

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Materials Science

Review

Self-Driving Laboratories for Chemistry and Materials Science

Gary Tom, Stefan P. Schmid, Sterling G. Baird, Yang Cao, Kourosh Darvish, Han Hao, Stanley Lo, Sergio Pablo-García, Ella M. Rajaonson, Marta Skreta, Naruki Yoshikawa, Samantha Corapi, Gun Deniz Akkoc, Felix Strieth-Kalthoff, Martin Seifrid, Alán Aspuru-Guzik

Version 1 posted 18 January 2024

1,415

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Refine Search

9 results in Sergio Pablo-García in Authors: Sergio Pablo-García

Fast Evaluation of the Adsorption Energy of Organic Molecules on Metals via Graph Neural Networks

ChemOS 2.0: an orchestration architecture for chemical self-driving laboratories

One Step Photochemical Synthesis of Surface-Supported Naked Gold Nanoparticles and Its Application as a SERS Substrate

Does one need to polish electrodes in an eight pattern? Automation provides the answer.

Atlas: A Brain for Self-driving Laboratories

An affordable platform for automated synthesis and electrochemical characterization

In silico chemical experiments in the Age of AI: From quantum chemistry to machine learning and back

rNets: A standalone package to visualize reaction networks.

Self-Driving Laboratories for Chemistry and Materials Science

9 results in Authors: Sergio Pablo-García