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A Materials Acceleration Platform for Organic Laser Discovery

Tony C Wu, Andrés Aguilar Granda, Kazuhiro Hotta, Sahar Alasvand Yazdani, Robert Pollice, Jenya Vestfrid, Han Hao, Cyrille Lavigne, Martin Seifrid, Nicholas Angello, Fatima Bencheikh, Jason E. Hein, Martin Burke, Chihaya Adachi, Alán Aspuru-Guzik

Version 1 posted 16 February 2022

1,260

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

AkshatKumar Nigam, Robert Pollice, Mario Krenn, Gabriel dos Passos Gomes, Alan Aspuru-Guzik

Version 2 posted 07 January 2021

2,745

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Theoretical and Computational Chemistry

Working Paper

Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning

Gabriel dos Passos Gomes, Robert Pollice, Alan Aspuru-Guzik

Version 1 posted 12 August 2020

2,287

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Materials Science

Working Paper

Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Fluorescence Rates

Robert Pollice, Pascal Friederich, Cyrille Lavigne, Gabriel dos Passos Gomes, Alan Aspuru-Guzik

Version 1 posted 29 October 2020

2,019

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2

Citations

Catalysis

Working Paper

A General Fitting Function to Estimate Apparent Reaction Orders of Kinetic Profiles

Robert Pollice

Version 1 posted 25 March 2019

1,306

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Theoretical and Computational Chemistry

Working Paper

Automatic discovery of chemical reactions using imposed activation

Cyrille Lavigne, Gabriel dos Passos Gomes, Robert Pollice, Alan Aspuru-Guzik

Version 2 posted 17 November 2020

2,035

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3

Citations

Theoretical and Computational Chemistry

Working Paper

A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

Tobias Gensch, Gabriel dos Passos Gomes, Pascal Friederich, Ellyn Peters, Theophile Gaudin, Robert Pollice, Kjell Jorner, AkshatKumar Nigam, Michael Lindner D'Addario, Matthew S. Sigman, Alan Aspuru-Guzik

Version 1 posted 27 April 2021

3,260

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5

Citations

Theoretical and Computational Chemistry

Working Paper

Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet-Triplet Gap Molecules

Danillo Valverde, Cher Tian Ser, Gaetano Ricci, Kjell Jorner, Robert Pollice, Alan Aspuru-Guzik, Yoann Olivier

Version 1 posted 15 March 2024

576

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Chemical Education

Working Paper

A guidebook for sustainability in laboratories

Thomas Freese, Renate Kat, Suzanne D. Lanooij, Tanja C. Böllersen, C. Maurits De Roo, Nils Elzinga, Meagan Beatty, Brian Setz, Roza R. Weber, Irene Malta, Timea B. Gandek, Arjen Krikken, Peter Fodran, Robert Pollice, Michael M. Lerch

Version 4 posted 25 April 2024

2,658

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Materials Chemistry

Working Paper

Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters

Felix Strieth-Kalthoff, Han Hao, Vandana Rathore, Joshua Derasp, Théophile Gaudin, Nicholas H. Angello, Martin Seifrid, Ekaterina Trushina, Mason Guy, Junliang Liu, Xun Tang, Masashi Mamada, Wesley Wang, Tuul Tsagaantsooj, Cyrille Lavigne, Robert Pollice, Tony C. Wu, Kazuhiro Hotta, Leticia Bodo, Shangyu Li, Mohammad Haddadnia, Agnieszka Wolos, Rafal Roszak, Cher-Tian Ser, Carlota Bozal-Ginesta, Riley J. Hickman, Jenya Vestfrid, Andrés Aguilar-Gránda, Elena L. Klimareva, Ralph C. Sigerson, Wenduan Hou, Daniel Gahler, Slawomir Lach, Adrian Warzybok, Oleg Borodin, Simon Rohrbach, Benjamin Sanchez-Lengeling, Chihaya Adachi, Bartosz A. Grzybowski, Leroy Cronin, Jason E. Hein, Martin D. Burke, Alán Aspuru-Guzik

Version 1 posted 20 September 2023

2,585

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5

Citations

Refine Search

14 results in Robert Pollice in Authors: Robert Pollice

A Materials Acceleration Platform for Organic Laser Discovery

Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning

Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Fluorescence Rates

A General Fitting Function to Estimate Apparent Reaction Orders of Kinetic Profiles

Automatic discovery of chemical reactions using imposed activation

A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet-Triplet Gap Molecules

A guidebook for sustainability in laboratories

Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters

14 results in Authors: Robert Pollice