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Energy

Working Paper

Thermodynamic modeling of complex solid solutions in the Lu-H-N system via graph neural network accelerated Monte Carlo simulations

Pinwen Guan, Catalin Spataru, Vitalie Stavila, Reese Jones, Peter Sharma, Matthew Witman

Version 1 posted 19 August 2024

244

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Materials Science

Working Paper

MatFold: systematic insights into materials discovery models' performance through standardized cross-validation protocols

Matthew Witman, Peter Schindler

Version 1 posted 07 August 2024

319

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Theoretical and Computational Chemistry

Working Paper

entos: A Quantum Molecular Simulation Package

Frederick Manby, Thomas Miller, Peter Bygrave, Feizhi Ding, Thomas Dresselhaus, Fidel Batista-Romero, Alexander Buccheri, Callum Bungey, Sebastian Lee, Rocco Meli, Kaito Miyamoto, Casper Steinmann, Takashi Tsuchiya, Matthew Welborn, Timothy Wiles, Zack Williams

Version 2 posted 26 February 2019

2,337

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15

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Materials Chemistry

Working Paper

Modulating entropic driving forces to promote high lithium mobility in solid organic electrolytes

Jack McAlpine, Alex Bloemendal, Jeremy Dahl, Robert Carlson, Ilia Guzei, Catherine Clewett, Boryslav Tkachenko, Peter Schreiner, Matthew Gebbie

Version 1 posted 24 January 2023

275

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Materials Chemistry

Working Paper

Photoresponsive Organic Cages – Computationally Driven Discovery of Azobenzene-Derived Organic Cages

Michael Brand, Hamish Trowell, James Pegg, Jake Greenfield, Magdalena Odaybat, Marc Little, Peter Haycock, Nicola Rankin, Matthew Fuchter, Kim Jelfs, Andrew Cooper, Rebecca Greenaway

Version 1 posted 26 July 2024

651

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Biological and Medicinal Chemistry

Working Paper

New insights from old data - Hunting for compounds with novel mechanisms using cellular high-throughput screening profiles with Grey Chemical Matter

Jason R Thomas, Claude Shelton IV, Jason Murphy, Scott Brittain, Mark-Anthony Bray, Peter Aspesi, John Concannon, Frederick J King, Robert J Ihry, Daniel J Ho, Martin Henault, Andrea Hadjikyriacou, Marilisa Neri, Frederic D Sigoillot, Helen T Pham, Matthew Shum, Louise Barys, Michael D Jones, Eric J Martin, Anke Blechschmidt, Sébastien Rieffel, Thomas J Troxler, Felipa A Mapa, Jeremy L Jenkins, Rishi K Jain, Peter S Kutchukian, Markus Schirle, Steffen Renner

Version 2 posted 20 October 2023

517

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Catalysis

Working Paper

CO2 Conversion to Butene via a Tandem Photovoltaic-Electrochemical/Photothermocatalytic Process: A Co-Design Approach to Coupled Microenvironments

Kyra M. K. Yap, Aisulu Aitbekova, Matthew Salazar, Tobias A. Kistler, Melanie Rodríguez Pabón, Magel P. Su, Nicholas B. Watkins, Sang-Won Lee, Peter Agbo, Adam Z. Weber, Jonas C. Peters, Theodor Agapie, Adam C. Nielander, Harry A. Atwater, Thomas F. Jaramillo, Alexis T. Bell

Version 1 posted 02 August 2024

554

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Biological and Medicinal Chemistry

Working Paper

Open Source Antibiotics - Simple Diarylimidazoles are Potent Against Methicillin Resistant Staphylococcus Aureus

Dana Klug, Edwin Tse, Daniel Silva, Yafeng Cao, Susan Charman, Jyoti Chauhan, Elly Crighton, Maria Dichiara, Chris Drake, David Drewry, Flavio Emery, Lori Ferrins, Lee Graves, Emily Hopkins, Thomas Kresina, Alvaro Lorente-Macias, Ben Perry, Richard Phipps, Bruno Quiroga, Antonio Quotadamo, Giada Sabatino, Anthony Sama, Andreas Schaetzlein, Quillon Simpson, Jonathan Steele, Julia Shanu-Wilson, Peter Sjö, Paul Stapleton, Chris Swain, Alexandra Vaideanu, Huanxu Xie, William Zuercher, Matthew Todd

Version 1 posted 21 June 2023

294

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Biological and Medicinal Chemistry

Working Paper

Selective and potent PROTAC degraders of c-Src kinase

Wuxiang Mao, Nathalie Vandecan, Christopher Bingham, Pui Ki Tsang, Peter Ulintz, Rachel Sexton, Daniel Bochar, Sofia Merajver, Matthew Soellner

Version 1 posted 05 September 2023

510

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Materials Chemistry

Working Paper

Feeling blue: utilising cation ordering to engineer the colour of apatite pigments

Dominic Gardner, Matthew James, Sophie Wright, Jacob Williams, Olivia Baldwin, Tom Ball, Emily Cooper, Catherine Monk, Elizabeth Driscoll, Peter Slater

Version 1 posted 01 November 2023

416

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52 results in Matthew Peters in Authors: Matthew Peters

Thermodynamic modeling of complex solid solutions in the Lu-H-N system via graph neural network accelerated Monte Carlo simulations

MatFold: systematic insights into materials discovery models' performance through standardized cross-validation protocols

entos: A Quantum Molecular Simulation Package

Modulating entropic driving forces to promote high lithium mobility in solid organic electrolytes

Photoresponsive Organic Cages – Computationally Driven Discovery of Azobenzene-Derived Organic Cages

New insights from old data - Hunting for compounds with novel mechanisms using cellular high-throughput screening profiles with Grey Chemical Matter

CO2 Conversion to Butene via a Tandem Photovoltaic-Electrochemical/Photothermocatalytic Process: A Co-Design Approach to Coupled Microenvironments

Open Source Antibiotics - Simple Diarylimidazoles are Potent Against Methicillin Resistant Staphylococcus Aureus

Selective and potent PROTAC degraders of c-Src kinase

Feeling blue: utilising cation ordering to engineer the colour of apatite pigments

52 results in Authors: Matthew Peters