Chemical Compounds
CCSD
100%
Energy
70%
Coupled Cluster Theory
64%
Perturbation Theory
58%
Coupled Cluster
56%
Orbital
48%
Wave Function
44%
Electron Correlation
41%
Binding Energy
36%
Multireference Configuration Interaction
36%
Electronic State
35%
Coupled Cluster Singles and Doubles Theory
34%
Molecular Cluster
29%
Error
28%
Dihydrofolates
26%
Electrostatic Potential
26%
Polarization
26%
Density Functional Theory
24%
Ab Initio Calculation
24%
CASSCF Calculation
24%
Molecule
20%
Dipole Moment
19%
Application
19%
Vibrational Frequency
18%
Quantum Chemistry
18%
Molecular Mechanic
17%
Exchange Interaction
17%
Silicon Carbide
17%
Nanotube
16%
Hartree-Fock Calculation
16%
Compound Isomer
15%
Molecular Orbital
15%
Radical Cation
14%
Fulminic Acid
13%
Ion
13%
Gallium Atom
13%
Bending Potential
12%
Simulation
11%
Transition State
11%
Quadrupole Moment
11%
Boron Nitride Nanotube
10%
Point Group D2h
10%
Vibronic Coupling
10%
Atmospheric Chemistry
10%
Nuclear Quadrupole Coupling Constant
10%
Force
9%
Potential Barrier
9%
Shape
9%
Decomposition
9%
Folate
9%
Mathematics
OpenMP
75%
Performance
69%
Computational Science
44%
Hardware
43%
Computational Chemistry
43%
Thread
38%
Graphics Processing Unit
37%
Quantum Chemistry
36%
High Performance Computing
35%
Architecture
33%
Shared Memory
28%
Energy
27%
System-on-chip
27%
Parallel Processors
27%
High Performance
25%
Accelerator
24%
Linux
24%
Placement
23%
Supercomputer
23%
Benchmark
23%
Cross product
20%
Evaluate
20%
Performance Analysis
20%
Matrix Product
19%
Sparse matrix
19%
Workload
19%
Chip
19%
Software
18%
Message Passing
16%
Programming Languages
16%
Simulation
15%
Chemistry
15%
Network on chip
15%
Bandwidth
15%
Programming
14%
Scientific Computing
14%
Distributed Shared Memory
14%
Parallelism
14%
Molecular Dynamics
13%
Fast multipole Method
13%
Cache
13%
Exercise
13%
Interval Arithmetic
12%
Energy Efficiency
12%
Software Design
12%
Costs
12%
Graphical User Interface
12%
Design Patterns
12%
Floating point
12%
Physics & Astronomy
configuration interaction
55%
self consistent fields
44%
excitation
38%
energy
38%
orbitals
38%
perturbation theory
33%
binding energy
32%
parallel computers
31%
gradients
31%
central processing units
31%
architecture (computers)
30%
electrostatics
30%
radiative lifetime
29%
dimers
25%
electronic structure
25%
geometry
23%
isomers
23%
wave functions
22%
nanotubes
21%
electrons
20%
quantum chemistry
20%
molecules
20%
molecular orbitals
19%
field theory (physics)
19%
computational chemistry
18%
dipole moments
18%
distributed memory
17%
estimates
17%
water
16%
harmonics
16%
density functional theory
15%
potassium
15%
accelerators
14%
silicon carbides
14%
polarization
14%
electronics
14%
scaling
13%
proteins
13%
formulations
13%
interactions
12%
performance
12%
gallium
12%
adsorption
11%
heat of formation
11%
atmospheric chemistry
11%
quadrupoles
11%
output
11%
requirements
11%
uracil
11%
computer programs
11%
