Suchergebnisse - "EQUATIONS"

Analysis and simulation of generalized Langevin equations with non-Gaussian orthogonal forces.

Autoren: Kiefer, Henrik Héry, Benjamin J. A. Tepper, Lucas et al.

Quelle: Journal of Chemical Physics. 11/14/2025, Vol. 163 Issue 18, p1-10. 10p.

Schlagwörter: *LANGEVIN equations, *STOCHASTIC differential equations, *ORTHOGONAL curves, *GAUSSIAN distribution, *DIHEDRAL angles

Graph-based block-diagonalization of full configuration interaction Hamiltonian.

Autoren: Park, Hayun Lee, Hunpyo

Quelle: Journal of Chemical Physics. 11/28/2025, Vol. 163 Issue 20, p1-5. 5p.

Schlagwörter: *HAMILTON'S equations, *CLUSTER analysis (Statistics), *EIGENANALYSIS, *EIGENVECTORS, *MOLECULES

Reduced-cost relativistic equation-of-motion coupled cluster method based on frozen natural spinors: A state-specific approach.

Autoren: Mukhopadhyay, Tamoghna Thapa, Mrinal Chamoli, Somesh et al.

Quelle: Journal of Chemical Physics. 11/21/2025, Vol. 163 Issue 19, p1-16. 16p.

Schlagwörter: *EQUATIONS of motion, *SPINORS, *EXCITED states, *HAMILTONIAN systems, *COST control

Carrier mobility in Holstein–Peierls models of organic materials: A tensor-train HEOM approach.

Autoren: Takahashi, Hideaki Borrelli, Raffaele

Quelle: Journal of Chemical Physics. 11/21/2025, Vol. 163 Issue 19, p1-13. 13p.

Schlagwörter: *EQUATIONS of motion, *ORGANIC semiconductors, *QUANTUM theory, *ELECTRON-phonon interactions, *GENERATING functions

Virial equation of state of hard hyperspheroids.

Autoren: Kulossa, Markus Wagner, Joachim

Quelle: Journal of Chemical Physics. 11/7/2025, Vol. 163 Issue 17, p1-9. 9p.

Schlagwörter: *EQUATIONS of state, *EUCLIDEAN distance, *MONTE Carlo method, *ANISOTROPY, *COEFFICIENTS (Statistics)

Smoothed dissipative particle dynamics for mesoscale advection–diffusion–reaction problems.

Autoren: Echeverría-Ferrero, Marina Moreno, Nicolas Ellero, Marco

Quelle: Journal of Chemical Physics. 11/7/2025, Vol. 163 Issue 17, p1-14. 14p.

Schlagwörter: *REACTION-diffusion equations, *PARTICLE dynamics, *THERMODYNAMICS, *DISCRETIZATION methods, *MOLECULAR dynamics

Validation of the copper equation of state via shock loading experiments of loosely associated powders.

Autoren: Wang, Yufeng Hao, Long Liu, Lixin et al.

Quelle: Journal of Applied Physics. 11/7/2025, Vol. 138 Issue 17, p1-11. 11p.

Schlagwörter: *COPPER powder, *EQUATIONS of state, *PYROMETRY, *VELOCIMETRY, *THERMAL conductivity

Density dependent embedding potentials for piecewise exact densities.

Autoren: Wesolowski, Tomasz A.¹ tomasz.wesolowski@unige.ch

Quelle: Journal of Chemical Physics. 10/28/2025, Vol. 163 Issue 16, p1-5. 5p.

Schlagwörter: *DENSITY functional theory, *EIGENVALUE equations, *ELECTRON density, *WAVE functions, *REAL variables

Quantum dynamics of a cantilever under combined additive and parametric noise: Implications for squeezing and sensitivity control.

Autoren: Al-Sawai, Wael M.¹ walsawai@gmail.com

Quelle: Journal of Applied Physics. 10/28/2025, Vol. 138 Issue 16, p1-12. 12p.

Schlagwörter: *QUANTUM theory, *DIFFERENTIAL equations, *QUANTUM states, *QUANTUM fluctuations, *QUANTUM noise

Viscosity, breakdown of Stokes–Einstein relation, and dynamical heterogeneity in supercooled liquid Ge2Sb2Te5 from simulations with a neural network potential.

Autoren: Marcorini, Simone Pomodoro, Rocco Abou El Kheir, Omar et al.

Quelle: Journal of Chemical Physics. 10/21/2025, Vol. 163 Issue 15, p1-13. 13p.

Schlagwörter: *VISCOSITY, *STOKES equations, *GLASS transition temperature, *CRYSTALLIZATION, *ATOMS

Simultaneous inference of equation of state parameters and unknown data errors with uncertainty quantification via hierarchical Bayesian posterior maximization.

Autoren: Schmid, Abigail C. Andrews, Stephen A.

Quelle: Journal of Applied Physics. 10/21/2025, Vol. 138 Issue 15, p1-10. 10p.

Schlagwörter: *EQUATIONS of state, *HYDRODYNAMICS, *BAYESIAN analysis, *MARKOV chain Monte Carlo, *DISTRIBUTION (Probability theory)

Controlling effective Hamiltonians: Broadband pulsed dynamic nuclear polarization by constrained random walk and non-linear optimization.

Autoren: Nielsen, Anders B. Carvalho, José P. Wili, Nino et al.

Quelle: Journal of Chemical Physics. 10/14/2025, Vol. 163 Issue 14, p1-17. 17p.

Schlagwörter: *POLARIZATION (Nuclear physics), *HAMILTON'S equations, *RANDOM walks, *MATHEMATICAL optimization, *BANDWIDTHS

Noniterative triple excitations contributions in equation-of-motion coupled-cluster theory for singlet and triplet excitation energies of closed-shell systems.

Autoren: Guo, Minggang Wang, Fan Wang, Zhifan

Quelle: Journal of Chemical Physics. 10/7/2025, Vol. 163 Issue 13, p1-14. 14p.

Schlagwörter: *EXCITED state energies, *EQUATIONS of motion, *GROUND state energy, *ELECTRON spin, *MOLECULES

Redundant parameter dependencies in conventional and quantum linear response and equation of motion theory for unitary parameterized wave functions.

Autoren: Kjellgren, Erik Rosendahl Reinholdt, Peter Ziems, Karl Michael et al.

Quelle: Journal of Chemical Physics. 10/7/2025, Vol. 163 Issue 13, p1-10. 10p.

Schlagwörter: *EQUATIONS of motion, *WAVE functions, *GROUND state (Quantum mechanics), *PARAMETERIZATION, *HESSIAN matrices

Innovación en la enseñanza de la trigonometría universitaria: diseño e implementación de una trayectoria hipotética de aprendizaje para ecuaciones trigonométricas con infinitas soluciones

Autoren: Castro Castro, Teresa del Carmen

Thesis Advisors: Fortuny Aymemi, Josep Maria, Cárcamo Bahamonde, Andrea Dorila, Albarracin Gordo, Lluis

Quelle: TDX (Tesis Doctorals en Xarxa)

Schlagwörter: Models emergents, Emergent models, Modelos emergentes, Equacions trigonomètriques, Trigonometric equations, Ecuaciones trigonométricas, Trajectòries hipotètiques, Hypothetical trajectory, Trayectorias hipotéticas, Ciències Socials

Dateibeschreibung: application/pdf

Zugangs-URL: http://hdl.handle.net/10803/695998

Matching correlations matters: Modeling friction in a hydrophobic folding transition.

Autoren: Wolf, Niklas Tripathy, Madhusmita van der Vegt, Nico F. A.

Quelle: Journal of Chemical Physics. 9/28/2025, Vol. 163 Issue 12, p1-9. 9p.

Schlagwörter: *LANGEVIN equations, *VOLTERRA equations, *MOLECULAR dynamics, *STATISTICAL correlation, *KERNEL (Mathematics)

Finite element computational modeling of flexoelectricity and flexo-photovoltaics

Autoren: Pérez Escudero, Sergi

Weitere Verfasser: University/Department: Universitat Politècnica de Catalunya. Facultat de Matemàtiques i Estadística

Thesis Advisors: Fernández Méndez, Sonia, Arias Vicente, Irene

Quelle: TDX (Tesis Doctorals en Xarxa)

Schlagwörter: Semiconductor modeling equations, Finite Element method, flexoelectricity, 4th-order PDE, finite deformations, Interior Penalty method, generalized periodicity, metamaterials, photovoltaic effect, flexo-photovoltaic effect, Àrees temàtiques de la UPC::Matemàtiques i estadística, 51 - Matemàtiques

Dateibeschreibung: application/pdf

Zugangs-URL: http://hdl.handle.net/10803/695034
https://dx.doi.org/10.5821/dissertation-2117-439711

Complex systems perspectives on large-scale weather and climate variability patterns

Autoren: Ehstand, Noémie

Thesis Advisors: Donner, Reik Volker, López Sánchez, Cristóbal, Hernández García, Emilio, Gomila Villalonga, Damià Agustí

Quelle: TDX (Tesis Doctorals en Xarxa)

Schlagwörter: Lagrangian fluid dynamics, Lagrangian flow networks, Correlation-based functional networks, Tipping phenomena, Primitive equations, Atmospheric blocking events, El Niño-Southern Oscillation (ENSO), MJO skeleton model, Dinàmica de fluids lagrangiana, Xarxes de flux lagrangià, Xarxes funcionals basades en correlació, Fenòmens de llindar, Equacions primitives, Esdeveniments de bloqueig atmosfèric, El Niño-Oscil·lació del Sud, Oscil·lació de Madden-Julian (MJO), Model esquelet de la MJO, Dinámica de fluidos lagrangiana, Redes de flujo lagrangiano, Redes funcionales basadas en correlación, Fenómenos de umbral, Ecuaciones primitivas, Eventos de bloqueo atmosférico, El Niño-Oscilación del Sur, Oscilación de Madden-Julian (MJO), Modelo esqueleto de la MJO, Madden-Julian Oscillation (MJO), Física de la Matèria Condensada

Dateibeschreibung: application/pdf

Zugangs-URL: http://hdl.handle.net/10803/694702

A Davydov Ansatz approach to accurate system–bath dynamics in the presence of multiple baths with distinct temperatures.

Autoren: Ma, Chenlin Zheng, Fulu Sun, Kewei et al.

Quelle: Journal of Chemical Physics. 9/28/2025, Vol. 163 Issue 12, p1-16. 16p.

Schlagwörter: *EQUATIONS of motion, *QUBITS, *QUANTUM thermodynamics, *QUANTUM theory

Advanced Langevin thermostats: Properties, extensions to rheology, and a lean momentum-conserving approach.

Autoren: Agarwal, Shubham Sukhomlinov, Sergey V. Honecker, Marc et al.

Quelle: Journal of Chemical Physics. 9/28/2025, Vol. 163 Issue 12, p1-17. 17p.

Schlagwörter: *LANGEVIN equations, *THERMOSTAT, *STOCHASTIC analysis, *KINETIC energy, *RHEOLOGY