Results 181 to 190 of about 449,739 (281)

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

ADP-Net: a hierarchical attention-diffusion-prediction framework for human trajectory prediction. [PDF]

Front Artif Intell
Zhang Z, Xiao S, Yu Z.
europepmc   +1 more source

4D trajectory prediction module

4D trajectory prediction ...
openaire   +1 more source

Enhanced Li‐Ion Battery Performance with Hybrid MXene/GnR Electrodes: Heterojunctions and Engineered Architectures Supported by DFT Mechanistic Studies for Improved Rate Performance, Stability & Capacity

Advanced Functional Materials, EarlyView.
Lithium‐ion batteries (LIBs) remain central to energy storage but suffer from slow ion transport and degradation. Here, we present a binder‐free Ti3C2Tx MXene/GnR hybrid electrode with a porous 3D architecture formed via freeze casting. The structure enhances conductivity, ion transport, and stability, delivering 401 mAh/g, ∼97% efficiency, and 92 ...
Sara Mohseni Taromsari, Meysam Salari, Dipali Nayak, Saeed Habibpour, Ling Wei Hwang, Cristopher Carreiro, Carlos M. Da Silva, Aiping Yu, Chul B. Park, Cristina H. Amon, Hani E. Naguib   +10 more
wiley   +1 more source

Trajectory prediction model of diabetes distress in adults with type 2 diabetes mellitus: a 12-month prospective longitudinal study. [PDF]

Front Psychol
Zhang YY, Li W, Wang QY, Zhao F, Wang Q, Sheng Y.   +5 more
europepmc   +1 more source

Structure Formation in Butterfly Scales: Interplay of Genetic Control, Mechanical Instabilities, and Dynamic Material Properties

Advanced Functional Materials, EarlyView.
Butterfly wing scales are intricate cuticular functional nanosctructures. This perspective suggests that spatially varying material properties, cytoskeletal constraints, and growth‐driven mechanical instabilities shape the resulting nanoscale architectures created from single cells.
Anupama Prakash, Victoria Lloyd, Yi Yang, Anna‐Lee Jessop, Anthony McDougal, Primož Pirih, Guillaume Duclos, Andrew Parnell, Mathias Kolle, Nicola J. Nadeau, Bodo D. Wilts   +10 more
wiley   +1 more source

MTP-STG: Spatio-Temporal Graph Transformer Networks for Multiple Future Trajectory Prediction in Crowds. [PDF]

Sensors (Basel)
Zhang Z, Cao X, Song Y, Gong W, Zhang L, Zhang Y, Li Y, Zhang H.   +7 more
europepmc   +1 more source

Curvature‐Tuned Friction at Electrified Ionic Liquid Interfaces

Advanced Functional Materials, EarlyView.
Graphene curvature plays a key role in friction electrotunability at single‐asperity contacts lubricated by ionic liquids. A 9 nm radius yields stronger tunability than larger radii, with distinct friction coefficients at low and high loads indicating a shift in the slippage plane.
Wei Song, Md Ashiqur Rahman, Qianlu Zheng, Nathaniel Hawthorne, James D. Batteas, Rui Qiao, Rosa M. Espinosa‐Marzal   +6 more
wiley   +1 more source

Personalized vehicle trajectory prediction method based on driving style classification. [PDF]

Sci Rep
Li X, Zhang M, Tavares AJ, Xu H, Ma S.
europepmc   +1 more source

Unlocking Multi‐Valley Energy Pockets and Interface‐Induced Phonon Filtering in InSb Thermoelectrics by Reaction‐Driven Interface Engineering

Advanced Functional Materials, EarlyView.
InSb, a narrow‐bandgap semiconductor with high carrier mobility, is promising for thermoelectric energy conversion but suffers from high lattice thermal conductivity and strong bipolar conduction. Here, in situ interface engineering using Co2O3 nanoprecursors forms hierarchical CoSbx/In2O3/CoSb3 heterostructures that enhance phonon scattering and ...
Jiwu Xin, Xiao Yang, Xiao‐Lei Shi, Chengyun Xu, Xi Ling, Pengyu Zhang, Jinfeng Dong, Yong Du, Haisheng Chen, Ting Zhang, Zhi‐Gang Chen   +10 more
wiley   +1 more source