A fast transferable method for predicting the glass transition temperature of polymers from chemical structure

Autor: Brierley-Croft, Sebastian, Olmsted, Peter D., Hine, Peter J., Mandle, Richard J., Chaplin, Adam, Grasmeder, John, Mattsson, Johan

We present a new method that successfully predicts the glass transition temperature $T_{\! \textrm{g}}$ of polymers based on their monomer structure. The model combines ideas from Group Additive Properties (GAP) and Quantitative Structure Property Re

Externí odkaz: http://arxiv.org/abs/2411.06461

Emerging Vulnerabilities in Frontier Models: Multi-Turn Jailbreak Attacks

Autor: Gibbs, Tom, Kosak-Hine, Ethan, Ingebretsen, George, Zhang, Jason, Broomfield, Julius, Pieri, Sara, Iranmanesh, Reihaneh, Rabbany, Reihaneh, Pelrine, Kellin

Large language models (LLMs) are improving at an exceptional rate. However, these models are still susceptible to jailbreak attacks, which are becoming increasingly dangerous as models become increasingly powerful. In this work, we introduce a datase

Externí odkaz: http://arxiv.org/abs/2409.00137

Strain-dependent one-dimensional confinement channels in twisted bilayer 1T$'$-WTe$_2$

Autor: Magorrian, Samuel J., Hine, Nicholas D. M.

Publikováno v: Phys. Rev. B 110, 045410 (2024)

The low symmetry and anistropic lattice of 1T$'$ WTe$_2$ is responsible for the existence of parallel one-dimensional channels in the moir\'e patterns of twisted bilayers. This gives the opportunity to explore moir\'e physics of a different nature to

Externí odkaz: http://arxiv.org/abs/2404.10557

The International Climate Psychology Collaboration: Climate change-related data collected from 63 countries

Autor: Kimberly C. Doell, Boryana Todorova, Madalina Vlasceanu, Joseph B. Bak Coleman, Ekaterina Pronizius, Philipp Schumann, Flavio Azevedo, Yash Patel, Michael M. Berkebile-Wineberg, Cameron Brick, Florian Lange, Samantha J. Grayson, Yifei Pei, Alek Chakroff, Karlijn L. van den Broek, Claus Lamm, Denisa Vlasceanu, Sara M. Constantino, Steve Rathje, Danielle Goldwert, Ke Fang, Salvatore Maria Aglioti, Mark Alfano, Andy J. Alvarado-Yepez, Angélica Andersen, Frederik Anseel, Matthew A. J. Apps, Chillar Asadli, Fonda Jane Awuor, Piero Basaglia, Jocelyn J. Bélanger, Sebastian Berger, Paul Bertin, Michał Białek, Olga Bialobrzeska, Michelle Blaya-Burgo, Daniëlle N. M. Bleize, Simen Bø, Lea Boecker, Paulo S. Boggio, Sylvie Borau, Björn Bos, Ayoub Bouguettaya, Markus Brauer, Tymofii Brik, Roman Briker, Tobias Brosch, Ondrej Buchel, Daniel Buonauro, Radhika Butalia, Héctor Carvacho, Sarah A. E. Chamberlain, Hang-Yee Chan, Dawn Chow, Dongil Chung, Luca Cian, Noa Cohen-Eick, Luis Sebastian Contreras-Huerta, Davide Contu, Vladimir Cristea, Jo Cutler, Silvana D’Ottone, Jonas De keersmaecker, Sarah Delcourt, Sylvain Delouvée, Kathi Diel, Benjamin D. Douglas, Moritz A. Drupp, Shreya Dubey, Jānis Ekmanis, Christian T. Elbaek, Mahmoud Elsherif, Iris M. Engelhard, Yannik A. Escher, Tom W. Etienne, Laura Farage, Ana Rita Farias, Stefan Feuerriegel, Andrej Findor, Lucia Freira, Malte Friese, Neil Philip Gains, Albina Gallyamova, Sandra J. Geiger, Oliver Genschow, Biljana Gjoneska, Theofilos Gkinopoulos, Beth Goldberg, Amit Goldenberg, Sarah Gradidge, Simone Grassini, Kurt Gray, Sonja Grelle, Siobhán M. Griffin, Lusine Grigoryan, Ani Grigoryan, Dmitry Grigoryev, June Gruber, Johnrev Guilaran, Britt Hadar, Ulf J. J. Hahnel, Eran Halperin, Annelie J. Harvey, Christian A. P. Haugestad, Aleksandra M. Herman, Hal E. Hershfield, Toshiyuki Himichi, Donald W. Hine, Wilhelm Hofmann, Lauren Howe, Enma T. Huaman-Chulluncuy, Guanxiong Huang, Tatsunori Ishii, Ayahito Ito, Fanli Jia, John T. Jost, Veljko Jovanović, Dominika Jurgiel, Ondřej Kácha, Reeta Kankaanpää, Jaroslaw Kantorowicz, Elena Kantorowicz-Reznichenko, Keren Kaplan Mintz, Ilker Kaya, Ozgur Kaya, Narine Khachatryan, Anna Klas, Colin Klein, Christian A. Klöckner, Lina Koppel, Alexandra I. Kosachenko, Emily J. Kothe, Ruth Krebs, Amy R. Krosch, Andre P. M. Krouwel, Yara Kyrychenko, Maria Lagomarsino, Julia Lee Cunningham, Jeffrey Lees, Tak Yan Leung, Neil Levy, Patricia L. Lockwood, Chiara Longoni, Alberto López Ortega, David D. Loschelder, Jackson G. Lu, Yu Luo, Joseph Luomba, Annika E. Lutz, Johann M. Majer, Ezra Markowitz, Abigail A. Marsh, Karen Louise Mascarenhas, Bwambale Mbilingi, Winfred Mbungu, Cillian McHugh, Marijn H. C. Meijers, Hugo Mercier, Fenant Laurent Mhagama, Katerina Michalaki, Nace Mikus, Sarah G. Milliron, Panagiotis Mitkidis, Fredy S. Monge-Rodríguez, Youri L. Mora, Michael J. Morais, David Moreau, Kosuke Motoki, Manuel Moyano, Mathilde Mus, Joaquin Navajas, Tam Luong Nguyen, Dung Minh Nguyen, Trieu Nguyen, Laura Niemi, Sari R. R. Nijssen, Gustav Nilsonne, Jonas P. Nitschke, Laila Nockur, Ritah Okura, Sezin Öner, Asil Ali Özdoğru, Helena Palumbo, Costas Panagopoulos, Maria Serena Panasiti, Philip Pärnamets, Mariola Paruzel-Czachura, Yuri G. Pavlov, César Payán-Gómez, Adam R. Pearson, Leonor Pereira da Costa, Hannes M. Petrowsky, Stefan Pfattheicher, Nhat Tan Pham, Vladimir Ponizovskiy, Clara Pretus, Gabriel G. Rêgo, Ritsaart Reimann, Shawn A. Rhoads, Julian Riano-Moreno, Isabell Richter, Jan Philipp Röer, Jahred Rosa-Sullivan, Robert M. Ross, Anandita Sabherwal, Toshiki Saito, Oriane Sarrasin, Nicolas Say, Katharina Schmid, Michael T. Schmitt, Philipp Schoenegger, Christin Scholz, Mariah G. Schug, Stefan Schulreich, Ganga Shreedhar, Eric Shuman, Smadar Sivan, Hallgeir Sjåstad, Meikel Soliman, Katia Soud, Tobia Spampatti, Gregg Sparkman, Ognen Spasovski, Samantha K. Stanley, Jessica A. Stern, Noel Strahm, Yasushi Suko, Sunhae Sul, Stylianos Syropoulos, Neil C. Taylor, Elisa Tedaldi, Gustav Tinghög, Luu Duc Toan Huynh, Giovanni Antonio Travaglino, Manos Tsakiris, İlayda Tüter, Michael Tyrala, Özden Melis Uluğ, Arkadiusz Urbanek, Danila Valko, Sander van der Linden, Kevin van Schie, Aart van Stekelenburg, Edmunds Vanags, Daniel Västfjäll, Stepan Vesely, Jáchym Vintr, Marek Vranka, Patrick Otuo Wanguche, Robb Willer, Adrian Dominik Wojcik, Rachel Xu, Anjali Yadav, Magdalena Zawisza, Xian Zhao, Jiaying Zhao, Dawid Żuk, Jay J. Van Bavel

Publikováno v: Scientific Data, Vol 11, Iss 1, Pp 1-17 (2024)

Abstract Climate change is currently one of humanity’s greatest threats. To help scholars understand the psychology of climate change, we conducted an online quasi-experimental survey on 59,508 participants from 63 countries (collected between July

Externí odkaz: https://doaj.org/article/fc42f300b9e141c39d25b8ed83551c8a

Machine-learned interatomic potentials for transition metal dichalcogenide Mo1−x W x S2−2y Se2y alloys

Autor: Anas Siddiqui, Nicholas D. M. Hine

Publikováno v: npj Computational Materials, Vol 10, Iss 1, Pp 1-11 (2024)

Abstract Machine Learned Interatomic Potentials (MLIPs) combine the predictive power of Density Functional Theory (DFT) with the speed and scaling of interatomic potentials, enabling theoretical spectroscopy to be applied to larger and more complex s

Externí odkaz: https://doaj.org/article/f41f1865b9014efab106368796512991