Results 161 to 170 of about 23,211 (263)

Stability Bounds for the Generalized Kadanoff‐Baym Ansatz in the Holstein Dimer

Contributions to Plasma Physics, EarlyView.
ABSTRACT Predicting real‐time dynamics in correlated systems is demanding: exact two‐time Green's function methods are accurate but often too costly, while the Generalized Kadanoff‐Baym Ansatz (GKBA) offers time‐linear propagation at the risk of uncontrolled behavior. We examine when and why GKBA fails in a minimal yet informative setting, the Holstein
Oscar Moreno Segura, Yaroslav Pavlyukh, Riku Tuovinen   +2 more
wiley   +1 more source

Quantum Information Flow in Microtubule Tryptophan Networks. [PDF]

Entropy (Basel)
Gassab L, Pusuluk O, Craddock TJA.
europepmc   +1 more source

Transverse Square Toroidal Vortices with Giant Ferrotoroidic Coupling in Dy‐Bridged Single‐Molecule Toroics

European Journal of Inorganic Chemistry, EarlyView.
Single‐molecular toroics (SMTs) offer protected magnetic states for next‐generation quantum technologies. Ab initio and model analyses of Cu2Dy7 and Cu4Dy12 reveal unconventional excited states featuring delocalised toroidal moments that couple into strong ferro‐ and antiferrotoroidic configurations, providing unprecedented magnetic coupling within ...
Matteo Licitra, Imon J. Dutta, Kieran Hymas, Stuart R. Batten, Keith S. Murray, Gopalan Rajaraman, Stuart K. Langley, Kuduva R. Vignesh, Alessandro Soncini   +8 more
wiley   +1 more source

Quantum Gravity Spacetime: Universe vs. Multiverse. [PDF]

Entropy (Basel)
Tessarotto M, Cremaschini C.
europepmc   +1 more source

Design of HAWT Rotor for Non‐Uniform Inflow Conditions: A Theoretical and Experimental Approach for Shear Flow

Energy Science &Engineering, EarlyView.
This paper aims to provide a robust design approach for HAWTs operating in shear flow. This study fills a critical research gap by integrating BEM and vortex theories for blade design in non‐homogeneous inflow conditions. The authors of the paper made an effort to develop and test an experimentally unsophisticated model of a turbine working in shear ...
Agnieszka Dorota Woźniak, Piotr Strzelczyk, Taeseong Kim   +2 more
wiley   +1 more source

QuPepFold: A python package for hybrid quantum-classical protein folding simulations with CVaR-optimized VQE. [PDF]

PLoS One
Uttarkar A, Niranjan V, Saxena A, Kumar V.   +3 more
europepmc   +1 more source

How (not) to Cage an Electron: The Perfluoro Cage Effect as an Extrinsic Molecular Property

Helvetica Chimica Acta, EarlyView.
A rigorous definition within Kohn–Sham density functional theory is presented for the notion of an caged electron inside perfluorinated fullerenes as radical anions. ABSTRACT The notion of a (molecular) electron cage was coined for the unique hosting capacity of perfluorocubane, suggesting the “encapsulation of an electron” within the highly symmetric ...
Andreas Riedmiller, Christian Mück‐Lichtenfeld, Johannes Neugebauer   +2 more
wiley   +1 more source

Digital Quantum Simulation of Wavepacket Correlations in a Chemical Reaction. [PDF]

Entropy (Basel)
Mohtashim SI, Kais S.
europepmc   +1 more source

Photo‐Excitations in Halide Perovskites: Where Do Simulations and Experiments Meet?

Laser &Photonics Reviews, EarlyView.
Aiming to bridge the gap between simulations and measurements of light–matter couplings and photo‐excitations in new functional materials, this perspective highlights insights and bottlenecks of state‐of‐the‐art experimental and theoretical methods (2D electronic spectroscopy vs.
Muhammad Sufyan Ramzan, Antonietta De Sio, Alexander Steinhoff, Frank Jahnke, Christoph Lienau, Caterina Cocchi   +5 more
wiley   +1 more source

What Is a Pattern in Statistical Mechanics? Formalizing Structure and Patterns in One-Dimensional Spin Lattice Models with Computational Mechanics. [PDF]

Entropy (Basel)
Aguilar O.
europepmc   +1 more source