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Ying Wai Li
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2020 – today
- 2023
- [j7]Maksim Kulichenko, Kipton Barros, Nicholas Lubbers, Ying Wai Li, Richard A. Messerly, Sergei Tretiak, Justin S. Smith, Benjamin T. Nebgen:
Uncertainty-driven dynamics for active learning of interatomic potentials. Nat. Comput. Sci. 3(3): 230-239 (2023) - [c7]Dewi Yokelson, Marc Robert Joseph Charest, Ying Wai Li:
HPC Application Performance Prediction with Machine Learning on New Architectures. PERMAVOST@HPDC 2023: 1-8 - 2022
- [j6]Dewi Yokelson, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, Pavel A. Dub:
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs. J. Chem. Inf. Model. 62(10): 2378-2386 (2022) - 2021
- [j5]Massimiliano Lupo Pasini, Junqi Yin, Ying Wai Li, Markus Eisenbach:
A scalable algorithm for the optimization of neural network architectures. Parallel Comput. 104-105: 102788 (2021) - [c6]Ying Wai Li, Peter W. Doak, Giovanni Balduzzi, Wael R. Elwasif, Eduardo F. D'Azevedo, Thomas A. Maier:
Machine-Learning Accelerated Studies of Materials with High Performance and Edge Computing. SMC 2021: 190-205 - [i2]Dewi Yokelson, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, Pavel A. Dub:
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics. CoRR abs/2109.04536 (2021) - 2020
- [j4]Lixiang Luo, Tjerk P. Straatsma, Luis Enrique Aguilar-Suárez, Ria Broer, Dmytro Bykov, Eduardo F. D'Azevedo, Shirin S. Faraji, Kalyana C. Gottiparthi, Coen de Graaf, James Austin Harris, Remco W. A. Havenith, Hans Jørgen Aagard Jensen, Wayne Joubert, R. K. Kathir, Jeff Larkin, Ying Wai Li, Dmitry I. Lyakh, O. E. Bronson Messer, Matthew R. Norman, Joseph C. Oefelein, Ramanan Sankaran, Andreas F. Tillack, Ashleigh L. Barnes, Lucas Visscher, Jack C. Wells, Meilani Wibowo:
Pre-exascale accelerated application development: The ORNL Summit experience. IBM J. Res. Dev. 64(3/4): 11:1-11:21 (2020)
2010 – 2019
- 2019
- [j3]Alfred C. K. Farris, Ying Wai Li, Markus Eisenbach:
Histogram-free multicanonical Monte Carlo sampling to calculate the density of states. Comput. Phys. Commun. 235: 297-304 (2019) - [c5]Giovanni Balduzzi, Arghya Chatterjee, Ying Wai Li, Peter W. Doak, Urs R. Hähner, Eduardo F. D'Azevedo, Thomas A. Maier, Thomas C. Schulthess:
Accelerating DCA++ (Dynamical Cluster Approximation) Scientific Application on the Summit Supercomputer. PACT 2019: 433-444 - [c4]Sambit Das, Phani Motamarri, Vikram Gavini, Bruno Turcksin, Ying Wai Li, Brent Leback:
Fast, scalable and accurate finite-element based ab initio calculations using mixed precision computing: 46 PFLOPS simulation of a metallic dislocation system. SC 2019: 2:1-2:11 - [i1]Massimiliano Lupo Pasini, Junqi Yin, Ying Wai Li, Markus Eisenbach:
A greedy constructive algorithm for the optimization of neural network architectures. CoRR abs/1909.03306 (2019) - 2017
- [c3]Ying Wai Li, Markus Eisenbach:
A Histogram-Free Multicanonical Monte Carlo Algorithm for the Basis Expansion of Density of States. PASC 2017: 10:1-10:7 - 2016
- [c2]M. Graham Lopez, Christopher Bergstrom, Ying Wai Li, Wael R. Elwasif, Oscar R. Hernandez:
Using C++ AMP to Accelerate HPC Applications on Multiple Platforms. ISC Workshops 2016: 563-576 - [c1]Tyler McDaniel, Eduardo F. D'Azevedo, Ying Wai Li, Paul R. C. Kent, Ming Wong, Kwai Wong:
Delayed Update Algorithms for Quantum Monte Carlo Simulation on GPU: Extended Abstract. XSEDE 2016: 13:1-13:4 - 2011
- [j2]Ying Wai Li, Thomas Wüst, David P. Landau:
Monte Carlo simulations of the HP model (the "Ising model" of protein folding). Comput. Phys. Commun. 182(9): 1896-1899 (2011)
2000 – 2009
- 2007
- [j1]Ying Wai Li, Thomas Wüst, David P. Landau, H. Q. Lin:
Numerical integration using Wang-Landau sampling. Comput. Phys. Commun. 177(6): 524-529 (2007)
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