Ying Wai Li

Publication Activity (10 Years)

Years Active: 2007-2023
Publications (10 Years): 14

Top Topics

Molecular Dynamics

Scientific Data

Top Venues

IBM J. Res. Dev.

Publications

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) (2023)
Dewi Yokelson, Marc Robert Joseph Charest, Ying Wai Li
HPC Application Performance Prediction with Machine Learning on New Architectures. PERMAVOST@HPDC (2023)
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) (2022)
Massimiliano Lupo Pasini, Junqi Yin, Ying Wai Li, Markus Eisenbach
A scalable algorithm for the optimization of neural network architectures. Parallel Comput. (2021)
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)
Dewi Yokelson, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, Pavel A. Dub
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics. CoRR (2021)
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, J. 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) (2020)
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 (2019)
Massimiliano Lupo Pasini, Junqi Yin, Ying Wai Li, Markus Eisenbach
A greedy constructive algorithm for the optimization of neural network architectures. CoRR (2019)
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)
Sambit Das, Phani Motamarri, Vikram Gavini, Bruno Turcksin, Ying Wai Li, Brent Leback
calculations using mixed precision computing: 46 PFLOPS simulation of a metallic dislocation system. SC (2019)
Ying Wai Li, Markus Eisenbach
A Histogram-Free Multicanonical Monte Carlo Algorithm for the Basis Expansion of Density of States. PASC (2017)
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)
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)
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) (2011)
Ying Wai Li, Thomas Wüst, David P. Landau, H. Q. Lin
Numerical integration using Wang-Landau sampling. Comput. Phys. Commun. 177 (6) (2007)