Exploiting GPUs with the Super Instruction Architecture

Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU–GPU Systems

(2013) Kiran Bhaskaran-Nair et al.   Journal of Chemical Theory and Computation

Optimizing tensor contraction expressions for hybrid CPU-GPU execution

(2011) Wenjing Ma et al.   Cluster Computing-The Journal of Networks Software Tools and Applications

Coupled Cluster Theory on Graphics Processing Units I. The Coupled Cluster Doubles Method

(2011) A. Eugene DePrince et al.   Journal of Chemical Theory and Computation

GPU-Based Implementations of the Noniterative Regularized-CCSD(T) Corrections: Applications to Strongly Correlated Systems

(2011) Wenjing Ma et al.   Journal of Chemical Theory and Computation

hiCUDA: High-Level GPGPU Programming

(2010) Tianyi David Han et al.   IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS

Parallel implementation of electronic structure energy, gradient, and Hessian calculations

(2008) V. Lotrich et al.   JOURNAL OF CHEMICAL PHYSICS