GPU-Based Implementations of the Noniterative Regularized-CCSD(T) Corrections: Applications to Strongly Correlated Systems.
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Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units.Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units.Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems.The cloud and other new computational methods to improve molecular modelling.Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2).
P2860
GPU-Based Implementations of the Noniterative Regularized-CCSD(T) Corrections: Applications to Strongly Correlated Systems.
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2011 nî lūn-bûn
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name
GPU-Based Implementations of the Noniterative Regularized-CCSD
@nl
GPU-Based Implementations of t ...... o Strongly Correlated Systems.
@en
type
label
GPU-Based Implementations of the Noniterative Regularized-CCSD
@nl
GPU-Based Implementations of t ...... o Strongly Correlated Systems.
@en
prefLabel
GPU-Based Implementations of the Noniterative Regularized-CCSD
@nl
GPU-Based Implementations of t ...... o Strongly Correlated Systems.
@en
P2093
P356
P1476
GPU-Based Implementations of t ...... o Strongly Correlated Systems.
@en
P2093
Karol Kowalski
Oreste Villa
Sriram Krishnamoorthy
Wenjing Ma
P304
P356
10.1021/CT1007247
P577
2011-04-11T00:00:00Z