Results 211 to 220 of about 235,695 (358)

Coarse-Graining Self-Assembly by the Stochastic Landscape Method. [PDF]

J Chem Theory Comput
Faran M, Bisker G.
europepmc   +1 more source

When Dihedral Angles Mask Denticity in Molecular Conductance

ChemPhysChem, EarlyView.
This study tests whether higher molecule–electrode denticity increases conductance in single‐molecule junctions. Using nonequilibrium Green's function technique in conjunction with density functional theory simulations and mechanically controlled break‐junction experiments on a tetradentate N‐heterohexacene, it is found that conductance depends mainly ...
Kevin Batzinger, Dylan Dyer, M. D. Hashan C. Peiris, Tarek H. El‐Assaad, Rashmi Yohani Amarakoon Arachchige, Sam LaMotte, Dominic V. McGrath, Oliver L.A. Monti, Manuel Smeu   +8 more
wiley   +1 more source

Quenching the Hubbard Model: Comparison of Nonequilibrium Green's Function Methods

Contributions to Plasma Physics, EarlyView.
ABSTRACT We benchmark nonequilibrium Green's function (NEGF) approaches for interaction quenches in the half‐filled Fermi–Hubbard model in one and two dimensions. We compare fully self‐consistent two‐time Kadanoff–Baym equations (KBE), the generalized Kadanoff–Baym ansatz (GKBA), and the recently developed NEGF‐based quantum fluctuations approach (NEGF‐
Jan‐Philip Joost, Christopher Makait, Alexander Osterkorn, Erik Schroedter   +3 more
wiley   +1 more source

Viewing social isolation as a complex dynamical system: A theoretical and computational framework. [PDF]

NPP Digit Psychiatry Neurosci
Abplanalp SJ, Maimone JS, Green MF.
europepmc   +1 more source

Random finite element analysis on ground subsidence caused by tunnel excavation in karst regions with spatial variable soil

Deep Underground Science and Engineering, EarlyView.
This study investigates ground subsidence during tunnel excavation in karst areas, highlighting the combined effects of karst cave proximity, cave size, and soil spatial variability. Findings suggest that shorter cave distances and larger cave sizes increase subsidence variability, and a modified Peck formula is proposed for more accurate subsidence ...
Zhenghong Su, Yong Fu, Miaomiao Sun, Kailin Ding, Ying Zhao   +4 more
wiley   +1 more source

Analysis of drug-resistant tuberculosis transmission dynamics in China using fractional stochastic model. [PDF]

PLoS One
Jiang S, Wang H, Hu Y.
europepmc   +1 more source

Demography and dispersal influence the relationship between habitat suitability and population density

Ecography, EarlyView.
A central goal of ecology is to understand spatial patterns of species densities. Habitat suitability estimates from species distribution models (SDMs) could be used to represent species density and overcome the scarcity of density data. However, there is mixed evidence that habitat suitability is a reliable descriptor of density, and it is suggested ...
Cleber Ten Caten, Tad Dallas
wiley   +1 more source

Learning collective multicellular dynamics with an interacting mean field neural SDE model. [PDF]

PLoS Comput Biol
Jiang Q, Li L, Zhang L, Wan L.
europepmc   +1 more source

Organic Electrolyte Composed of Strongly and Weakly Coordinating Molecules for Sodium‐Ion Battery. A Molecular Dynamics Simulation Study

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Molecular dynamics simulations reveal that the addition of weakly coordinating solvents disrupts stable Na+ solvation with various coordinating configurations, accelerating solvents exchange and promoting Na+ migration. The optimized electrolyte achieves the highest ionic conductivity as well as the fractional ionic conductivity of Na+ of 3.68 ± 0.36 ...
Hongjin Li, Junyu Huang, Yuechao Wu, Tao Wang, Siyuan Wu, Shu Li, Tianying Yan   +6 more
wiley   +1 more source

A practical guide to characterising ecological coexistence. [PDF]

Biol Rev Camb Philos Soc
Clark AT, Shoemaker LG, Arnoldi JF, Barabás G, Germain R, Godoy O, Hallett L, Karakoç C, Saavedra S, Schreiber SJ.   +9 more
europepmc   +1 more source