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An adiabatic molecular dynamics method for the calculation of free energy profiles
Lula Rosso,
Mark E. Tuckerman
Chemistry
Research output
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Article
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peer-review
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Mathematics
Molecular Dynamics
100%
Free Energy
78%
Profile
62%
Degree of freedom
32%
Subspace
25%
Multiple Time Scales
25%
Rare Events
22%
Post-processing
22%
Ensemble
18%
Factorization
15%
Probability Distribution
15%
Output
13%
Performance
10%
Operator
8%
Model
6%
Physics & Astronomy
free energy
59%
molecular dynamics
52%
profiles
39%
degrees of freedom
29%
factorization
19%
operators
12%
output
10%
performance
8%
Engineering & Materials Science
Free energy
87%
Factorization
18%
Probability distributions
17%
Mathematical operators
16%
Temperature
7%
Chemical Compounds
Gibbs Free Energy
55%
Molecular Dynamics
53%
Statistical Ensemble
18%