Keyphrases
Molecular Dynamics Simulation
71%
Collective Variables
46%
Stochastic Resetting
46%
Path Integral Molecular Dynamics
37%
Enhanced Sampling
37%
Metadynamics
36%
Separable Potential
29%
Path Integral Molecular Dynamics Simulation
28%
Bosonic
26%
Fermionic
26%
Path Integral Monte Carlo Simulation
25%
Gas Phase
24%
Ab Initio Molecular Dynamics Simulation
23%
Carbonic Acid
23%
Quantum Dynamics
23%
N2O5
23%
Bogoliubov Inequality
23%
Condensed Phase
23%
Molecular Crystals
23%
Molecular Simulation
20%
Electronic Structure
19%
Activation Energy
19%
Bosons
19%
Sign Problem
19%
Inference Scheme
19%
Charge Separation
18%
Path Integral Monte Carlo
17%
Unimolecular
17%
Reaction Coordinate
16%
Crystal nucleation
16%
Protein Folding
16%
Order of Magnitude
15%
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%
Protein Crystals
13%
Partial Charges
12%
Anharmonic Frequencies
11%
Stretching Mode
11%
Schrödinger Equation
11%
Isolated Molecules
11%
Solid State
11%
Improved Kinetics
11%
Chemistry
Molecular Dynamics
100%
formation
28%
Electronic State
25%
Molecular Crystal
23%
Quantum Dynamics
23%
Carbonic Acid
23%
Hydrogen
23%
vibrational spectroscopy
23%
Path Integral
21%
Normal Modes
17%
Ice
17%
Condensed Phase
17%
Amino Acid
17%
Wave Function
17%
Energetics
15%
Nitrogen Dioxide
14%
Reaction Activation Energy
13%
First Principle
11%
Surface Water
11%
Time Correlation Function
11%
Isolated Molecule
11%
Ammonia
11%
Atmospheric Chemistry
11%
Anharmonicity
11%
Mean-Field Theory
11%
Bond Order
11%
dimer
11%
Carbon Dioxide
11%
Spectroscopy
11%
Enzymatic Hydrolysis
11%
Deuterium
11%
Free Energy
11%
electronics
11%
Autocorrelation Function
8%
Deuterium Atom
7%
Proton Transfer
5%
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%
Energy Barrier
5%
Binding Energy
5%
Linewidth
5%
Ion Trap
5%
Density Functional Theory
5%
