Ye Luo

Employment

• Argonne National Laboratory
  2014 - Present

Education

• Scuola Internazionale Superiore di Studi Avanzati PhD in Theory and Numerical Simulation of Condensed Matter
  2010 - 2014
• Fudan University BSc in Physics
  2006 - 2010

Projects & Funding

Projects & funding information is unavailable.

Publications (24)

• A High-Efficiency Delayed Update Algorithm for Evaluating Slater Determinants in Quantum Monte Carlo
  Journal of Chemical Theory and Computation 2025 DOI: 10.1021/acs.jctc.5c01541
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• Multiscale Light-Matter Dynamics in Quantum Materials: From Electrons to Topological Superlattices
  Taufeq Mohammed Razakh, Thomas Linker, Ye Luo +12 more
  2025 DOI: 10.1145/3712285.3771785
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• Early Application Experiences on Aurora at ALCF: Moving From Petascale to Exascale Systems
  2024 DOI: 10.1145/3725789.3725791
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• OpenMP application experiences: Porting to accelerated nodes
  Seonmyeong Bak, Colleen Bertoni, Swen Boehm

  +21 more

  • Reuben D. Budiardja
  • Barbara Chapman
  • Johannes Doerfert
  • Markus Eisenbach
  • Hal Finkel
  • +16 more
  Parallel Computing 2022 DOI: 10.1016/j.parco.2021.102856
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• Autonomous reinforcement learning agent for stretchable kirigami design of 2D materials
  npj Computational Materials 2021 DOI: 10.1038/s41524-021-00572-y
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• Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics
  2021 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) 2021 DOI: 10.1109/ipdpsw52791.2021.00145
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• Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond
  The Journal of Chemical Physics 2020 DOI: 10.1063/5.0021036
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• TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
  The Journal of Chemical Physics 2020 DOI: 10.1063/5.0005037
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• QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo
  The Journal of Chemical Physics 2020 DOI: 10.1063/5.0004860
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• Exascale applications: skin in the game
  Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 2020 DOI: 10.1098/rsta.2019.0056
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• Quantum Dynamics at Scale
  Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region 2020 DOI: 10.1145/3368474.3368489
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• An efficient hybrid orbital representation for quantum Monte Carlo calculations
  The Journal of Chemical Physics 2018 DOI: 10.1063/1.5037094
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• Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo
  Physical Review Materials 2018 DOI: 10.1103/physrevmaterials.2.075001
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• Quantum Monte Carlo Calculations of Catalytic Energy Barriers in a Metallorganic Framework with Transition-Metal-Functionalized Nodes
  The Journal of Physical Chemistry C 2018 DOI: 10.1021/acs.jpcc.8b02368
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• QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids
  Journal of Physics: Condensed Matter 2018 DOI: 10.1088/1361-648x/aab9c3
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• Optimization and Parallelization of B-Spline Based Orbital Evaluations in QMC on Multi/Many-Core Shared Memory Processors
  2017 IEEE International Parallel and Distributed Processing Symposium (IPDPS) 2017 DOI: 10.1109/ipdps.2017.33
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• Embracing a new era of highly efficient and productive quantum Monte Carlo simulations
  Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis on - SC '17 2017 DOI: 10.1145/3126908.3126952
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• Phase stability of TiO2polymorphs from diffusion Quantum Monte Carlo
  New Journal of Physics 2016 DOI: 10.1088/1367-2630/18/11/113049
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• Ab Initio Molecular Dynamics with Quantum Monte Carlo
  Frontiers in Materials 2015 DOI: 10.3389/fmats.2015.00029
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• Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
  The Journal of Chemical Physics 2015 DOI: 10.1063/1.4917171
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