K Grace Johnson
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Explore the profile of K Grace Johnson including associated specialties, affiliations and a list of published articles.
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4
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Recent Articles
1.
Wang Y, Hait D, Johnson K, Fajen O, Zhang J, Guerrero R, et al.
J Chem Phys
. 2024 Nov;
161(17).
PMID: 39503473
The increasing availability of graphics processing units (GPUs) for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. However, the complexity of integral kernels for high...
2.
Ellerbrock R, Johnson K, Seritan S, Hoppe H, Zhang J, Lenzen T, et al.
J Chem Phys
. 2024 Mar;
160(11).
PMID: 38497471
We present QuTree, a C++ library for tree tensor network approaches. QuTree provides class structures for tensors, tensor trees, and related linear algebra functions that facilitate the fast development of...
3.
Johnson K, Mirchandaney S, Hoag E, Heirich A, Aiken A, Martinez T
J Chem Theory Comput
. 2022 Oct;
18(11):6522-6536.
PMID: 36200649
The computation of two-electron repulsion integrals (ERIs) is often the most expensive step of integral-direct self-consistent field methods. Formally it scales as (), where is the number of Gaussian basis...
4.
Fales B, Curtis E, Johnson K, Lahana D, Seritan S, Wang Y, et al.
J Chem Theory Comput
. 2020 Jun;
16(7):4021-4028.
PMID: 32567305
We develop a new implementation of coupled-cluster singles and doubles (CCSD) optimized for the most recent graphical processing unit (GPU) hardware. We find that a single node with 8 NVIDIA...