2 code implementations • 9 Jun 2023 • Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D. Bocarsly, Andres M Bran, Stefan Bringuier, L. Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A. de Jong, Matthew L. Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur K. Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W. Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Ranković, Samuel G. Rodriques, Jacob N. Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E. Smith, Joren Van Herck, Christoph Völker, Logan Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, KJ Schmidt, Ian Foster, Andrew D. White, Ben Blaiszik
Recent studies suggested that these models could be useful in chemistry and materials science.
1 code implementation • 28 May 2020 • Yadu Babuji, Ben Blaiszik, Tom Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Ian Foster, Zhi Hong, Shantenu Jha, Zhuozhao Li, Xuefeng Liu, Arvind Ramanathan, Yi Ren, Nicholaus Saint, Marcus Schwarting, Rick Stevens, Hubertus van Dam, Rick Wagner
Researchers across the globe are seeking to rapidly repurpose existing drugs or discover new drugs to counter the the novel coronavirus disease (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).
1 code implementation • 19 Apr 2023 • Vesa Akerman, David Baines, Damien Daspit, Ulf Hermjakob, Taeho Jang, Colin Leong, Michael Martin, Joel Mathew, Jonathan Robie, Marcus Schwarting
Efficiently and accurately translating a corpus into a low-resource language remains a challenge, regardless of the strategies employed, whether manual, automated, or a combination of the two.
1 code implementation • 16 Oct 2020 • Maksim Levental, Ryan Chard, Joseph A. Libera, Kyle Chard, Aarthi Koripelly, Jakob R. Elias, Marcus Schwarting, Ben Blaiszik, Marius Stan, Santanu Chaudhuri, Ian Foster
Flame Spray Pyrolysis (FSP) is a manufacturing technique to mass produce engineered nanoparticles for applications in catalysis, energy materials, composites, and more.
no code implementations • 2 May 2022 • Jim James, Nathan Pruyne, Tiberiu Stan, Marcus Schwarting, Jiwon Yeom, Seungbum Hong, Peter Voorhees, Ben Blaiszik, Ian Foster
The trained 3D CNNs are able to segment entire 852 x 852 x 250 voxel 3D volumes in only ~60 seconds, thus hastening the progress towards a deeper understanding of phase transformation phenomena such as dendritic solidification.
no code implementations • 5 Apr 2024 • Marcus Schwarting, Nathan A. Seifert, Michael J. Davis, Ben Blaiszik, Ian Foster, Kirill Prozument
We demonstrate that there are twins within standard levels of computational accuracy by generating rotational constants for many molecules from several large molecular databases, indicating the inverse problem is ill-posed.