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Junjie Li
Junjie Li
Texas Advanced Computing Center, The University of Texas at Austin
在 tacc.utexas.edu 的电子邮件经过验证 - 首页
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White matter alterations in early-stage Alzheimer's disease: a tract-specific study
Q Wen, SM Mustafi, J Li, SL Risacher, E Tallman, SA Brown, JD West, ...
Alzheimer's & Dementia: Diagnosis, Assessment & Disease Monitoring 11, 576-587, 2019
982019
Tuning the electrochemical behavior of organodisulfides in rechargeable lithium batteries using N-containing heterocycles
DY Wang, Y Si, J Li, Y Fu
Journal of Materials Chemistry A 7 (13), 7423-7429, 2019
642019
Fabrication of B doped g-C3N4/TiO2 heterojunction for efficient photoelectrochemical water oxidation
W Kong, X Zhang, B Chang, Y Zhou, S Zhang, G He, B Yang, J Li
Electrochimica Acta 282, 767-774, 2018
592018
An organic–inorganic hybrid cathode based on S–Se dynamic covalent bonds
J Zhao, Y Si, Z Han, J Li, W Guo, Y Fu
Angewandte Chemie International Edition 59 (7), 2654-2658, 2020
412020
Hybrid extended Lagrangian, post-Hartree–Fock Born–Oppenheimer ab initio molecular dynamics using fragment-based electronic structure
J Li, C Haycraft, SS Iyengar
Journal of chemical theory and computation 12 (6), 2493-2508, 2016
412016
Ab Initio Molecular Dynamics Using Recursive, Spatially Separated, Overlapping Model Subsystems Mixed within an ONIOM-Based Fragmentation Energy …
J Li, SS Iyengar
Journal of chemical theory and computation 11 (9), 3978-3991, 2015
392015
Tau-related white-matter alterations along spatially selective pathways
Q Wen, SL Risacher, L Xie, J Li, J Harezlak, MR Farlow, FW Unverzagt, ...
Neuroimage 226, 117560, 2021
372021
Efficient,“On-the-Fly”, Born–Oppenheimer and Car–Parrinello-type dynamics with coupled cluster accuracy through fragment based electronic structure
C Haycraft, J Li, SS Iyengar
Journal of Chemical Theory and Computation 13 (5), 1887-1901, 2017
312017
Active site dynamical effects in the hydrogen transfer rate-limiting step in the catalysis of linoleic acid by soybean lipoxygenase-1 (SLO-1): primary and secondary isotope …
P Phatak, J Venderley, J Debrota, J Li, SS Iyengar
The Journal of Physical Chemistry B 119 (30), 9532-9546, 2015
22*2015
First experiences in performance benchmarking with the new SPEChpc 2021 suites
H Brunst, S Chandrasekaran, FM Ciorba, N Hagerty, R Henschel, ...
2022 22nd IEEE International Symposium on Cluster, Cloud and Internet …, 2022
182022
Vibrational Properties of Hydrogen-Bonded Systems Using the Multireference Generalization to the “On-the-Fly” Electronic Structure within Quantum Wavepacket ab Initio Molecular …
J Li, X Li, SS Iyengar
Journal of Chemical Theory and Computation 10 (6), 2265-2280, 2014
152014
A Grotthuss-like proton shuttle in the anomalous C 2 H 3+ carbocation: energetic and vibrational properties for isotopologues
J Li, AB Pacheco, K Raghavachari, SS Iyengar
Physical Chemistry Chemical Physics 18 (42), 29395-29411, 2016
122016
SPEChpc 2021 benchmark suites for modern HPC systems
J Li, A Bobyr, S Boehm, W Brantley, H Brunst, A Cavelan, ...
Companion of the 2022 ACM/SPEC International Conference on Performance …, 2022
112022
Performance characteristics of virtualized gpus for deep learning
S Michael, S Teige, J Li, JM Lowe, G Turner, R Henschel
2020 IEEE/ACM International Workshop on Interoperability of Supercomputing …, 2020
42020
Application performance analysis: A report on the impact of memory bandwidth
Y Wang, JD McCalpin, J Li, M Cawood, J Cazes, H Chen, L Koesterke, ...
International Conference on High Performance Computing, 339-352, 2023
32023
Automatic BLAS Offloading on Unified Memory Architecture: A Study on NVIDIA Grace-Hopper
J Li, Y Wang, X Liang, H Liu
Practice and Experience in Advanced Research Computing 2024: Human Powered …, 2024
22024
Rare Events Sampling Methods for Quantum and Classical Ab Initio Molecular Dynamics
SS Iyengar, HB Schlegel, I Sumner, J Li
The Journal of Physical Chemistry A 128 (27), 5386-5397, 2024
2024
PEAK: a Light-Weight Profiler for HPC Systems
Y Wang, J Li
Proceedings of the SC'23 Workshops of The International Conference on High …, 2023
2023
Explore True Performance Using Application Benchmark for the Next Generation HPC Systems: First NSF EAGER SPEC HPG Workshop Report
R Henschel, J Li, R Eigenmann, S Chandrasekaran
2019
Performance Study of Popular Computational Chemistry Software Packages on Cray HPC Systems
J Li, S Sheng, R Sheppard
2018
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