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Invited: Drug Discovery Approaches using Quantum Machine Learning
Li, Junde, Alam, Mahabubul, Sha, Congzhou M, Wang, Jian, Dokholyan, Nikolay V., Ghosh, Swaroop
Published in 2021 58th ACM/IEEE Design Automation Conference (DAC) (05.12.2021)
Published in 2021 58th ACM/IEEE Design Automation Conference (DAC) (05.12.2021)
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Conference Proceeding
Ever more optimized simulations of fermionic systems on a quantum computer
Wang, Qingfeng, Cian, Ze-Pei, Li, Ming, Markov, Igor L., Nam, Yunseong
Published in 2023 60th ACM/IEEE Design Automation Conference (DAC) (09.07.2023)
Published in 2023 60th ACM/IEEE Design Automation Conference (DAC) (09.07.2023)
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Conference Proceeding
DeePEB: A Neural Partial Differential Equation Solver for Post Exposure Baking Simulation in Lithography
Wang, Qipan, Gao, Xiaohan, Lin, Yibo, Wang, Runsheng, Huang, Ru
Published in 2022 IEEE/ACM International Conference On Computer Aided Design (ICCAD) (29.10.2022)
Published in 2022 IEEE/ACM International Conference On Computer Aided Design (ICCAD) (29.10.2022)
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Conference Proceeding
Scaling the Leading Accuracy of Deep Equivariant Models to Biomolecular Simulations of Realistic Size
Musaelian, Albert, Batzner, Simon, Johansson, Anders, Kozinsky, Boris
Published in International Conference for High Performance Computing, Networking, Storage and Analysis (Online) (11.11.2023)
Published in International Conference for High Performance Computing, Networking, Storage and Analysis (Online) (11.11.2023)
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Conference Proceeding
NNQS-Transformer: An Efficient and Scalable Neural Network Quantum States Approach for Ab Initio Quantum Chemistry
Wu, Yangjun, Guo, Chu, Fan, Yi, Zhou, Pengyu, Shang, Honghui
Published in International Conference for High Performance Computing, Networking, Storage and Analysis (Online) (11.11.2023)
Published in International Conference for High Performance Computing, Networking, Storage and Analysis (Online) (11.11.2023)
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Conference Proceeding
Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials
Stocks, Ryan, Vallejo, Jorge L. Galvez, Yu, Fiona C. Y., Snowdon, Calum, Palethorpe, Elise, Kurzak, Jakub, Bykov, Dmytro, Barca, Giuseppe M. J.
Published in SC24: International Conference for High Performance Computing, Networking, Storage and Analysis (17.11.2024)
Published in SC24: International Conference for High Performance Computing, Networking, Storage and Analysis (17.11.2024)
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Conference Proceeding
Topic Modeling and Link-Prediction for Material Property Discovery
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Conference Proceeding
Enforcing Hard Constraints in Physics-Informed Learning for Transient Tsv Electromigration Analysis
Yang, Xiaoman, Chen, Hai-Bao, Zhu, Wenjie, Zhang, Yuhan, Xue, Yongkang, Ren, Pengpeng, Wang, Runsheng, Ji, Zhigang, Huang, Ru
Published in Digest of technical papers - IEEE/ACM International Conference on Computer-Aided Design (27.10.2024)
Published in Digest of technical papers - IEEE/ACM International Conference on Computer-Aided Design (27.10.2024)
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Conference Proceeding