INIS
simulation
100%
applications
78%
comparative evaluations
75%
data
74%
design
71%
interactions
70%
molecules
67%
investigations
67%
levels
61%
zeolites
57%
electron density
55%
values
54%
dynamics
53%
molecular dynamics method
53%
proteins
47%
machine learning
46%
information
46%
nonlinear problems
43%
performance
43%
evaluation
42%
decision making
42%
optimization
42%
density functional method
41%
accuracy
38%
tools
38%
periodicity
38%
energy
37%
layers
37%
solutions
36%
learning
34%
atoms
33%
distribution
33%
algorithms
33%
sampling
32%
prediction
31%
synthesis
30%
density
30%
neural networks
30%
stability
30%
triplets
29%
geometry
29%
detection
29%
approximations
29%
images
29%
modeling
28%
humans
28%
resolution
28%
variations
28%
datasets
28%
point charge
27%
perovskite
27%
topology
26%
randomness
25%
hybrids
25%
graphene
25%
environment
25%
water
24%
potentials
24%
interfaces
23%
range
23%
charges
23%
aggregation
22%
absorption
22%
substrates
22%
metrics
22%
optical properties
22%
testing
22%
fluorescence
22%
nanostructures
22%
second-harmonic generation
22%
orientation
21%
belgium
20%
gases
20%
receptors
20%
drugs
20%
devices
19%
electrostatics
19%
populations
19%
size
19%
metals
19%
vision
19%
proline
19%
robots
19%
peaks
19%
efficiency
19%
cost
18%
rings
18%
constraints
18%
probes
18%
covid-19
17%
oxygen
17%
light emitting diodes
17%
genetic algorithms
17%
symmetry
17%
correlations
17%
alignment
17%
trajectories
17%
ligands
17%
defects
17%
experimental data
16%
Keyphrases
Azobenzene
22%
Machine Learning
11%
Electron Density
11%
Point Charge Model
11%
Pediatric Extrapolation
11%
Reduced Representation
8%
Solvate
7%
DFT Method
7%
Stochastic Estimation
6%
Reduced Model
6%
Pediatric Pharmacotherapy
5%
Vision-based
5%
CsPbBr3 Perovskite Solar Cells
5%
Aluminophosphate
5%
Tandem Devices
5%
Atomic multipole Moments
5%
Silicon Tandem
5%
Evaluation Function
5%
Structural Identification
5%
Local Maxima
5%
Dielectric Strength
5%
Electrostatic Field
5%
Polymorph
5%
Bidimensional Materials
5%
All-silica Zeolites
5%
Molecular Electrostatic Potential
5%
Coordinate Method
5%
Silica Zeolite
5%
Molecular Similarity
5%
Lability
5%
Substrate Affinity
5%
Low-cost Substrates
5%
Hubbard Potential
5%
Validation Benchmark
5%
GECCO
5%
Gaussian Process
5%
C3F8
5%
Learning Function
5%
PbTiO3
5%
Adaptive Neuro-fuzzy Inference System
5%
Differential Evolution
5%
Synergism
5%
Hybrid Swarm
5%
White Light-emitting Diodes
5%
Algorithm Evolution
5%
Photodetector Device
5%
UV Photodetection
5%
Classical Particle
5%
Heuristic Approach
5%
Generalization Level
5%
Fuzzy Particle Swarm Optimization Algorithm
5%
Quantum Particle Swarm Optimization
5%
Enamine Intermediate
5%
Density Functional Theory
5%
Support Policies
5%
Policy Analytics
5%
Participatory Platforms
5%
Benchmark Functions
5%
Particle Swarm Optimization-genetic Algorithm
5%
Optimisation Competition
5%
Graphene Oxide Nanohybrid
5%
Computational Perspective
5%
Emissive Materials
5%
Inverted Singlet-triplet Gaps
5%
Avian Vision
5%
Bioactive Coating
5%
Palladium-catalyzed Reaction
5%
Copper-catalyzed Reaction
5%
Kohonen Neural Network
5%
Para-xylene
5%
Optical Modification
5%
Membrane Organization
5%
Organization Effect
5%
Cosine Function
5%
Digital Engagement
5%
Physical Concepts
5%
Dynamic Applications
5%
All-atom Molecular Dynamics Simulation
5%
Boron Carbide
5%
Shielding Application
5%
Broadband Perfect Absorber
5%
Harmonic Response
5%
B4 C
5%
Benzoxazine
5%
Neutron Shielding
5%
Collective Perception
5%
Complexity Measures
5%
Generic Complexity
5%
Output Tracking
5%
Feature-based Machine Learning
5%
Diffraction Geometry
5%
Adsorbed Water Molecule
5%
Hydrogen Effect
5%
Water Properties
5%
Alkali Metal Complexes
5%
Multinuclearity
5%
Loop Structure
5%
Ion-exchanged Zeolite
5%
Contaminated Soil Remediation
5%
Iron Particles
5%