Keyphrases
Molecular Dynamics Simulation
66%
Collective Variables
45%
Path Integral Molecular Dynamics
37%
Metadynamics
34%
Stochastic Resetting
34%
Enhanced Sampling
32%
Separable Potential
28%
Path Integral Molecular Dynamics Simulation
28%
Path Integral Monte Carlo Simulation
25%
Gas Phase
24%
Ab Initio Molecular Dynamics Simulation
23%
Carbonic Acid
22%
Quantum Dynamics
22%
N2O5
22%
Bogoliubov Inequality
22%
Condensed Phase
22%
Molecular Crystals
22%
Bosonic
22%
Fermionic
22%
Electronic Structure
19%
Activation Energy
19%
Bosons
19%
Sign Problem
19%
Inference Scheme
19%
Charge Separation
18%
Path Integral Monte Carlo
17%
Unimolecular
17%
Molecular Simulation
16%
Reaction Pathway
15%
Vibrational Spectroscopy
15%
Computational Study
15%
Energetic Materials
15%
Fermions Sign Problem
15%
Identical Particles
15%
Quantum Dots
14%
Water Surface
14%
Chemical Reaction
14%
Atmospheric Implications
14%
Reaction Coordinate
14%
Crystal nucleation
14%
Protein Folding
14%
Order of Magnitude
13%
Partial Charges
12%
Anharmonic Frequencies
11%
Stretching Mode
11%
Schrödinger Equation
11%
Isolated Molecules
11%
Solid State
11%
Improved Kinetics
11%
Cryogenic Vibrational Spectroscopy
11%
Chemistry
Molecular Dynamics
100%
Electronic State
24%
Molecular Crystal
22%
Quantum Dynamics
22%
Carbonic Acid
22%
Hydrogen
22%
Infrared Spectroscopy
22%
Path Integral
20%
Reaction Activation Energy
19%
Amino Acid
17%
Wave Function
17%
Normal Modes
17%
Ice
17%
Nitrogen Dioxide
17%
Condensed Phase
17%
Energetics
15%
First Principle
11%
Autocorrelation Function
11%
Surface Water
11%
Structure
11%
Computer Simulation
11%
Carbon Dioxide
11%
Time Correlation Function
11%
Isolated Molecule
11%
Ammonia
11%
Atmospheric Chemistry
11%
Anharmonicity
11%
Mean-Field Theory
11%
Gibbs Free Energy
11%
Bond Order
11%
Deuterium(.)
11%
Proton Transfer
7%
Deuterium Atom
7%
Pyrolysis
7%
Sea Spray
5%
Cluster Ion
5%
DFT-B3LYP Calculation
5%
Reaction Stoichiometry
5%
Calculation Method
5%
Halide
5%
Lineshape
5%
Charge Distribution
5%
Concentration Profile
5%
Potassium Ion
5%
Isotope Effect
5%
Density Functional Theory
5%
Energy Barrier
5%
Binding Energy
5%
Linewidth
5%
Ion Trap
5%
