关注
Zhengji Zhao
Zhengji Zhao
NERSC at LBNL
在 lbl.gov 的电子邮件经过验证
标题
引用次数
引用次数
年份
Reduced-density-matrix mechanics: with application to many-electron atoms and molecules
AJ Coleman, M Rosina, DA Mazziotti, RM Erdahl, BJ Braams, JK Percus, ...
John Wiley & Sons, Inc. 134, 1-9, 2007
3442007
The reduced density matrix method for electronic structure calculations and the role of three-index representability conditions
Z Zhao, BJ Braams, M Fukuda, ML Overton, JK Percus
The Journal of chemical physics 120 (5), 2095-2104, 2004
2892004
Variational calculation of second-order reduced density matrices by strong N-representability conditions and an accurate semidefinite programming solver
M Nakata, BJ Braams, K Fujisawa, M Fukuda, JK Percus, M Yamashita, ...
The Journal of chemical physics 128 (16), 2008
1042008
Large-scale semidefinite programs in electronic structure calculation
M Fukuda, BJ Braams, M Nakata, ML Overton, JK Percus, M Yamashita, ...
Mathematical programming 109, 553-580, 2007
962007
Linear-scaling three-dimensional fragment method for large-scale electronic structure calculations
LW Wang, Z Zhao, J Meza
Physical Review B—Condensed Matter and Materials Physics 77 (16), 165113, 2008
842008
Using pattern search methods for surface structure determination of nanomaterials
Z Zhao, JC Meza, M Van Hove
Journal of Physics: Condensed Matter 18 (39), 8693, 2006
582006
Performance tuning of scientific applications
DH Bailey, RF Lucas, S Williams
CRC Press, 2010
512010
A divide-and-conquer linear scaling three-dimensional fragment method for large scale electronic structure calculations
Z Zhao, J Meza, LW Wang
Journal of Physics: Condensed Matter 20 (29), 294203, 2008
442008
Linearly scaling 3D fragment method for large-scale electronic structure calculations
LW Wang, B Lee, H Shan, Z Zhao, J Meza, E Strohmaier, DH Bailey
SC'08: Proceedings of the 2008 ACM/IEEE Conference on Supercomputing, 1-10, 2008
302008
A novel multi-level integrated roofline model approach for performance characterization
T Koskela, Z Matveev, C Yang, A Adedoyin, R Belenov, P Thierry, Z Zhao, ...
High Performance Computing: 33rd International Conference, ISC High …, 2018
222018
Preparing NERSC users for Cori, a Cray XC40 system with Intel many integrated cores
Y He, B Cook, J Deslippe, B Friesen, R Gerber, R Hartman‐Baker, ...
Concurrency and Computation: Practice and Experience 30 (1), e4291, 2018
212018
Motif-based Hessian matrix for ab initio geometry optimization of nanostructures
Z Zhao, LW Wang, J Meza
Physical Review B—Condensed Matter and Materials Physics 73 (19), 193309, 2006
182006
OpenMP in VASP: Threading and SIMD
F Wende, M Marsman, J Kim, F Vasilev, Z Zhao, T Steinke
International Journal of Quantum Chemistry 119 (12), e25851, 2019
172019
NERSC workload analysis on Hopper
K Antypas, B Austin, T Butler, R Gerber, C Whitney, N Wright, WS Yang, ...
Lawrence Berkeley National Laboratory Technical Report 6804, 15, 2013
142013
Estimating the performance impact of the MCDRAM on KNL using dual-socket Ivy Bridge nodes on Cray XC30
Z Zhao, M Marsman
Proceedings of the Cray User Group—2016, 2016
132016
Simple Hamiltonians which exhibit drastic failures by variational determination of the two-particle reduced density matrix with some well known N-representability conditions
M Nakata, BJ Braams, M Fukuda, JK Percus, M Yamashita, Z Zhao
The Journal of chemical physics 125 (24), 2006
132006
Performance of hybrid MPI/OpenMP VASP on Cray XC40 based on Intel Knights landing many integrated core architecture
Z Zhao, M Marsman, F Wende, J Kim
CUG Proceedings, 2017
112017
The reduced density matrix method for electronic structure calculations: Application of semidefinite programming to N-fermion systems
Z Zhao
New York University, 2005
102005
Nersc-10 workload analysis
B Austin, W Bhimji, C Daley, T Davis, S Farrell, R Gerber, H He, K Konate, ...
Presentation slides, 2020
92020
Porting VASP from MPI to MPI+ OpenMP [SIMD] Optimization Strategies, Insights and Feature Proposals
F Wende, M Marsman, Z Zhao, J Kim
Scaling OpenMP for Exascale Performance and Portability: 13th International …, 2017
92017
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