| 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 | 127 | 2019 |
| 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 | 78 | 2019 |
| 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 | 69 | 2018 |
| 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 | 53 | 2020 |
| 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 | 49 | 2021 |
| 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 | 44 | 2016 |
| 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 | 43 | 2015 |
| 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 | 35 | 2017 |
| 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 | 29 | 2022 |
| 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 | 29 | 2022 |
| 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 | 23* | 2015 |
| 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 | 16 | 2014 |
| 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 | 13 | 2016 |
| 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 | 8 | 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 | 4 | 2023 |
| 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 | 4 | 2020 |
| Performance analysis of scientific applications on an nvidia grace system A Ruhela, J Cazes, J McCalpin, C del-Castillo-Negrete, J Li, H Liu, ... SC24-W: Workshops of the International Conference for High Performance …, 2024 | 3 | 2024 |
| 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 | 3 | 2023 |
| 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 | 2 | 2024 |
| Performant Automatic BLAS Offloading on Unified Memory Architecture with OpenMP First-Touch Style Data Movement J Li arXiv preprint arXiv:2501.00279, 2024 | 1 | 2024 |
Srinivasan IyengarProfessor of Chemistry, Indiana UniversityVerified email at iu.edu
