Keyphrases
Coupled Cluster
100%
Petascale
100%
Parallel Architecture
100%
NWChem
100%
Perturbative Triples
22%
Petaflops
22%
Blue Water
22%
Double Excitation
11%
Single-stranded DNA (ssDNA)
11%
Energy Difference
11%
Classical Force Field
11%
Monophosphate
11%
Single Excitation
11%
Field Prediction
11%
Quantum Approach
11%
Problem Size
11%
Conformational Energy
11%
T Phase
11%
Double Cluster
11%
Conformational Analysis
11%
Coupled Cluster Method
11%
Double Iterations
11%
Time-to-solution
11%
Guanine-cytosine
11%
G-base
11%
Communication Bottleneck
11%
Iteration Times
11%
Double Scaling
11%
Quantum Mechanical Force Field
11%
Biochemistry, Genetics and Molecular Biology
Water Blue
100%
Conformation
50%
Solution and Solubility
50%
Single-Stranded DNA
50%
Cytosine
50%
Guanine
50%
Chemistry
Coupled Cluster
100%
Coupled Cluster Singles and Doubles Theory
100%
Møller-Plesset Perturbation Theory
37%
Water Blue
25%
Single-Stranded DNA
12%
Coupled Cluster Methods
12%
Cytosine
12%
Guanine
12%
Engineering
Nodes
100%
Good Agreement
50%
Energy Difference
50%
Basis Function
50%
Pharmacology, Toxicology and Pharmaceutical Science
Water Blue
100%
Guanine
50%
Single Stranded DNA
50%
Cytosine
50%