Weile Jia

发表

Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine Learning

E Weinan, Weile Jia, Lin Lin, 2020, SC20: International Conference for High Performance Computing, Networking, Storage and Analysis.

Fast Real-Time Time-Dependent Density Functional Theory Calculations with the Parallel Transport Gauge.

Lin-wang Wang, Lin Lin, Weile Jia, 2018, Journal of chemical theory and computation.

ELSI - An open infrastructure for electronic structure solvers

Mathias Jacquelin, Yingzhou Li, Weile Jia, 2019, Comput. Phys. Commun..

Large-Scale Benchmark of Electronic Structure Solvers with the ELSI Infrastructure

Chao Yang, Mathias Jacquelin, Yingzhou Li, 2019 .

DP Compress: A Model Compression Scheme for Generating Efficient Deep Potential Models.

Linfeng Zhang, Weile Jia, Han Wang, 2021, Journal of chemical theory and computation.

RLEKF: An Optimizer for Deep Potential with Ab Initio Accuracy

Weile Jia, Siyu Hu, Wentao Zhang, 2022, Proceedings of the AAAI Conference on Artificial Intelligence.

Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines

Weile Jia, Xuebin Chi, Long Wang, 2013, J. Comput. Phys..

The analysis of a plane wave pseudopotential density functional theory code on a GPU machine

Weile Jia, Xuebin Chi, Long Wang, 2013, Comput. Phys. Commun..

A Left-Looking Selected Inversion Algorithm and Task Parallelism on Shared Memory Systems

Mathias Jacquelin, Weile Jia, Chao Yang, 2016, HPC Asia.

High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight.

Jinlong Yang, Dexun Chen, Wei Hu, 2020, Science bulletin.

ELSI - An open infrastructure for electronic structure solvers

Chao Yang, Yingzhou Li, Alberto García, 2019, Comput. Phys. Commun..

Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms pdf

Weile Jia, Ninghui Sun, Guangming Tan, 2022, PPoPP.

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy pdf

E Weinan, Weile Jia, Lin Lin, 2020, Comput. Phys. Commun..

ELSI: A unified software interface for Kohn-Sham electronic structure solvers

Mathias Jacquelin, Weile Jia, Victor Wen-zhe Yu, 2017, Comput. Phys. Commun..

Editorial for the special issue on large-scale AI in classical HPC environment and AI for science

Wei Xue, Weile Jia, Guangming Tan, 2021, CCF Transactions on High Performance Computing.

Large scale plane wave pseudopotential density functional theory calculations on GPU clusters

Weile Jia, Xuebin Chi, Yue Wu, 2011, 2011 International Conference for High Performance Computing, Networking, Storage and Analysis (SC).

Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks pdf

Weile Jia, Lin Lin, Linfeng Zhang, 2019, J. Comput. Phys..

Numerical study on the ductility improvement mechanism of dilute Mg-Ca alloys

Weile Jia, Y. Shibutani, Li Li, 2023, Computational Materials Science.

SGO: A fast engine for ab initio atomic structure global optimization by differential evolution

Weile Jia, Lin-Wang Wang, Zhanghui Chen, 2016, Comput. Phys. Commun..

GPU implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations

Weile Jia, Jue Wang, Xuebin Chi, 2017, Comput. Phys. Commun..

GPU Tuning for First-Principle Electronic Structure Simulations

Long Wang, Weile Jia, Xuebin Chi, 2013 .

2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT

Wei Hu, Guangming Tan, Weile Jia, 2022, SC22: International Conference for High Performance Computing, Networking, Storage and Analysis.

High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight.

Jinlong Yang, Dexun Chen, Wei Hu, 2020, Science bulletin.

Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine Learning

Lin Lin, E. Weinan, R. Car, 2020, SC20: International Conference for High Performance Computing, Networking, Storage and Analysis.