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48 results on '"MAXIMUM entropy method"'

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1. Classical and quantum thermodynamics described as a system–bath model: The dimensionless minimum work principle.

2. Relating the phase in vibrational sum frequency spectroscopy and second harmonic generation with the maximum entropy method.

3. Optimizing molecular potential models by imposing kinetic constraints with path reweighting.

4. Simultaneous refinement of molecular dynamics ensembles and forward models using experimental data.

5. Time correlation functions for quantum systems: Validating Bayesian approaches for harmonic oscillators and beyond.

6. Multiscale modeling of genome organization with maximum entropy optimization.

7. An entropy-maximization approach to automated training set generation for interatomic potentials.

8. Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches.

9. The generalized Boltzmann distribution is the only distribution in which the Gibbs-Shannon entropy equals the thermodynamic entropy.

10. Coarse-graining involving virtual sites: Centers of symmetry coarse-graining.

11. Conservation laws and work fluctuation relations in chemical reaction networks.

12. Reweighting ensemble probabilities with experimental histogram data constraints using a maximum entropy principle.

13. Learning dynamic Boltzmann distributions as reduced models of spatial chemical kinetics.

14. Perspective: Maximum caliber is a general variational principle for dynamical systems.

15. Ab initio-informed maximum entropy modeling of rovibrational relaxation and state-specific dissociation with application to the O2 + O system.

16. A many-body term improves the accuracy of effective potentials based on protein coevolutionary data.

17. Communication: Maximum caliber is a general variational principle for nonequilibrium statistical mechanics.

18. On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method.

19. Analytical continuation approaches to electronic transport: The resonant level model.

20. Maximum-entropy closure of hydrodynamic moment hierarchies including correlations.

21. Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble.

22. Maximum caliber inference of nonequilibrium processes.

23. Application of the entropy theory of glass formation to poly(α-olefins).

24. Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation.

25. Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics.

26. Synchrotron x-ray studies of molecular liquid SnI4.

27. Synchrotron x-ray studies of molecular liquid SnI4.

28. Observation of hydrogen in deuterated methane hydrate by maximum entropy method with neutron powder diffraction.

29. Energy distributions of gallium nanoclusters.

30. Role of angular momentum conservation in unimolecular translational energy release: Validity of the orbiting transition state theory.

31. A fully self-consistent treatment of collective fluctuations in quantum liquids.

32. Maximum-entropy calculation of the end-to-end distance distribution of force-stretched chains.

33. A constrained maximum entropy method in polymer statistics.

34. Counterion-only electrical double layer: A constrained entropy approach.

35. Time evolution of polymer distribution functions from moment equations and maximum-entropy methods.

36. Dynamics in the spin-boson model by maximum entropy moment imaging.

37. On the application of numerical analytic continuation methods to the study of quantum mechanical....

38. Application of the quasi-Gaussian entropy theory to the calculation of thermodynamic properties of water and methane in the liquid and gas phase.

39. Maximum-entropy representation of non-Gaussian polymer distribution functions.

40. Maximal entropy spectral fluctuations and the sampling of phase space.

41. A Bayesian analysis of Green’s function Monte Carlo correlation functions.

42. Remarks on the information entropy maximization method and extended thermodynamics.

43. Minimum cross-entropy inference of molecular momentum densities.

45. A maximum-entropy approach to the adiabatic freezing of a supercooled liquid.

46. Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle.

47. A derivation of the master equation from path entropy maximization.

48. Maximum-entropy calculation of energy distributions.

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