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55,668 results on '"degrees of freedom"'

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1. When can flexible weak polyelectrolytes be treated as effective rigid objects?

2. General theory of cavity-mediated interactions between low-energy matter excitations.

3. Control of probability flow in Markov chain Monte Carlo—Nonreversibility and lifting.

4. Comparing parameterized and self-consistent approaches to ab initio cavity quantum electrodynamics for electronic strong coupling.

5. Dynamics of high-dimensional quantum systems coupled to a harmonic bath. General theory and implementation via multiconfigurational wave packets and truncated hierarchical equations for the mean-fields.

6. Exploring electronic resonances in pyridine: Insights from orbital stabilization techniques.

7. Cavity Born–Oppenheimer approximation for molecules and materials via electric field response.

8. Low-dimensional projection of reactivity classes in chemical reaction dynamics using supervised dimensionality reduction.

9. Topological valley magnons and tunable thermal rectification in staggered Kagome ferromagnets.

10. Statistical adiabatic channel model for termolecular reactions.

11. Current-driven mechanical motion of double stranded DNA results in structural instabilities and chiral-induced-spin-selectivity of electron transport.

12. Charge transport in organic semiconductors from the mapping approach to surface hopping.

13. Capturing non-Markovian polaron dressing with the master equation formalism.

14. Coarse-grained molecular dynamic model and wettability simulation of graphite materials.

15. Unifying methods for optimal control in non-Markovian quantum systems via process tensors.

16. Environment-mediated long-ranged correlations in many-body system.

17. Stochastic Schrödinger equation for hot-carrier dynamics in plasmonic systems.

18. Non-equillibrium ultrafast optical excitation as a stimulus for ultra-small field-free magnetic skyrmions in ferrimagnetic GdFeCo.

19. Theory of high-temperature superfluorescence in hybrid perovskite thin films.

20. Single vibronic level fluorescence spectra from Hagedorn wavepacket dynamics.

21. Nonequilibrium relaxation of soft responsive colloids.

22. Semiclassical dynamics in Wigner phase space II: Nonadiabatic hybrid Wigner dynamics.

23. Semiclassical dynamics in Wigner phase space I: Adiabatic hybrid Wigner dynamics.

24. Steady-state properties of multi-orbital systems using quantum Monte Carlo.

25. Models to predict configurational adiabats of Lennard-Jones fluids and their transport coefficients.

26. Exact factorization of the photon–electron–nuclear wavefunction: Formulation and coupled-trajectory dynamics.

27. Impact of static disorder and dynamic disorder on the thermal conductivity of sodium superoxide (NaO2).

28. Impact of static disorder and dynamic disorder on the thermal conductivity of sodium superoxide (NaO2).

29. Photo-induced dynamics with continuous and discrete quantum baths.

30. Distinct vibrational motions promote disparate excited-state decay pathways in cofacial perylenediimide dimers.

31. Boltzmann's H-function for molecules with orientational degrees of freedom: Emergence of unique features.

32. Policy-guided Monte Carlo on general state spaces: Application to glass-forming mixtures.

33. Kylin-V: An open-source package calculating the dynamic and spectroscopic properties of large systems.

34. Quantum nature of reactivity modification in vibrational polariton chemistry.

35. Optimal three-dimensional particle shapes for maximally dense saturated packing.

36. Terahertz reflective metasurfaces realize wavefront modulation of circular polarization channels.

37. Voltage-controlled magnetic anisotropy-based spintronic devices for magnetic memory applications: Challenges and perspectives.

38. Coupling polyatomic molecules to lossy nanocavities: Lindblad vs Schrödinger description.

39. Optimal photoelectron circular dichroism of a model chiral system.

40. General framework for quantifying dissipation pathways in open quantum systems. I. Theoretical formulation.

41. Modeling microgel swelling: Influence of chain finite extensibility.

42. A Gauss–Newton method for iterative optimization of memory kernels for generalized Langevin thermostats in coarse-grained molecular dynamics simulations.

43. The initial sticking of high velocity water onto graphite under non-equilibrium supersonic flow conditions.

44. Simulation of interlayer coupling for electroactive covalent organic framework design.

45. Nonadiabatic dynamics of molecules interacting with metal surfaces: A quantum–classical approach based on Langevin dynamics and the hierarchical equations of motion.

46. The rates of non-adiabatic processes in large molecular systems: Toward an effective full-dimensional quantum mechanical approach.

47. Predicting the artificial dynamical acceleration of binary hydrocarbon mixtures upon coarse-graining with roughness volumes and simple averaging rules.

48. Nature of point defects in monolayer MoS2 and the MoS2/Au(111) heterojunction.

49. Enhancing torsional sampling using fully adaptive simulated tempering.

50. On the lattice ground state of densely packed hard ellipses.

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