Results 211 to 220 of about 710,673 (294)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Alexithymia mediates the pathway from negative life events to somatic symptoms: a cross-sectional study in a psychosomatic outpatient sample. [PDF]

Front Psychiatry
Chen J, Ma D, Cao J, Wei J.
europepmc   +1 more source

Shape‐Controlled Guanine Self‐Assemblies for Stable and Fast‐Ion Solid–Electrolyte Interphases in Sustainable Li Metal Batteries

Advanced Functional Materials, EarlyView.
The shape of guanine self‐assemblies is tuned by introducing alkyl (G8), fluoroalkyl (G8f), and oligoether (G8g) side chains into the G moiety. The scanning tunneling microscopy results and calculations show that the presence and type of the side chain strongly affect the G self‐assembly network.
So‐Huei Kang, So‐Dam Sohn, Kyung Min Lee, Seok‐Kyu Cho, Byongkyu Lee, Ji Eun Lee, Sang‐Young Lee, Sang Kyu Kwak, Hyung‐Joon Shin, Changduk Yang   +9 more
wiley   +1 more source

Regional growth rates of white matter hyperintensities are associated with beta-amyloid burden. [PDF]

Neurobiol Aging
Strain JF, Rahmani M, Phuah CL, Dierker D, Luo J, Owen C, Vlassenko AG, Jafri H, Bourgeat P, Fripp J, Jin L, Moulder K, Benzinger T, Xiong C, Lee JM, Weiner M, Masters CL, Morris JC, Womack K, Goyal MS, Alzheimer’s Disease Neuroimaging Initiative, AIBL research group, and OASIS3.   +22 more
europepmc   +1 more source

Algorithmic Design of Disordered Networks With Arbitrary Coordination: Application to Biophotonics

Advanced Functional Materials, EarlyView.
Predictive Design of Disordered Networks: Disordered network‐like morphologies are abundant in nature, from cytoskeletal networks to bone structures and chalcogenide glasses. These structures are naturally hard to characterize. A new algorithmic tool extends the established Wooten–Weaire–Winer (WWW) algorithm to valencies above 4.
Florin Hemmann, Vincent Glauser, Ullrich Steiner, Matthias Saba   +3 more
wiley   +1 more source

Predicting sugar beet leaf area index: evaluating performance of double sigmoid functions under different irrigation and plant density scenarios. [PDF]

Sci Rep
Shirazi SHM, Razzaghi F, Shabani A, Sepaskhah AR, Khozaei M.   +4 more
europepmc   +1 more source

Spatially Modulated Morphotropic Phase Boundaries in a Compressively Strained Multiferroic Thin Film

Advanced Functional Materials, EarlyView.
ABSTRACT The coexisting rhombohedral‐like (R′, MA) and tetragonal‐like (T′, MC) monoclinic phases in compressively strained bismuth ferrite thin films exhibit exceptional piezoelectric and magnetic properties. While previous studies have largely focused on probing the morphotropic phase boundaries (MPBs) comprising ordered R′/T′ twins, their self ...
Ting‐Ran Liu, Xiangwei Guo, Sajid Husain, Maya Ramesh, Pushpendra Gupta, Darrell Schlom, Ramamoorthy Ramesh, Yu‐Tsun Shao   +7 more
wiley   +1 more source

Land Finance and fiscal rules: An estimated DSGE model for Hong Kong. [PDF]

PLoS One
Zhang W, Liu Z.
europepmc   +1 more source

Atomic Layer Deposition in Transistors and Monolithic 3D Integration

Advanced Functional Materials, EarlyView.
Transistors are fundamental building blocks of modern electronics. This review summarizes recent progress in atomic layer deposition (ALD) for the synthesis of two‐dimensional (2D) metal oxides and transition‐metal dichalcogenides (TMDCs), with particular emphasis on their enabling role in monolithic three‐dimensional (M3D) integration for next ...
Yue Liu, Taoyu Zou, Cheng‐Yan Xu, Liang Zhen, Yang Li, Yong‐Young Noh   +5 more
wiley   +1 more source

Associations between axial length and optical coherence tomography angiography biomarkers. [PDF]

Int J Retina Vitreous
Lau JWK, Chow SC, Zhu MM, Lam PY, Shih KC, Fung NSK.   +5 more
europepmc   +1 more source