Results 251 to 260 of about 3,822,513 (334)

Self‐organized Criticality in Neuromorphic Nanowire Networks With Tunable and Local Dynamics

Advanced Functional Materials, EarlyView.
Memristive nanowire networks (NWNs) are shown to be electrically tunable to a critical state where specific local dynamics evaluated by multiterminal characterization are exploited as feature selection in nonlinear transformation (NLT) tasks.
Fabio Michieletti, Davide Pilati, Gianluca Milano, Carlo Ricciardi   +3 more
wiley   +1 more source

Using GNN property predictors as molecule generators. [PDF]

Nat Commun
Therrien F, Sargent EH, Voznyy O.
europepmc   +1 more source

Active Learning‐Driven Discovery of Sub‐2 Nm High‐Entropy Nanocatalysts for Alkaline Water Splitting

Advanced Functional Materials, EarlyView.
High‐entropy nanoparticles (HENPs) hold great promise for electrocatalysis, yet optimizing their compositions remains challenging. This study employs active learning and Bayesian Optimization to accelerate the discovery of octonary HENPs for hydrogen and oxygen evolution reactions.
Sakthivel Perumal, Da Bean Han, Thandapani Marimuthu, Taewaen Lim, Hyun Woo Kim, Junhyeok Seo   +5 more
wiley   +1 more source

Forbidden codon combinations in error-detecting circular codes. [PDF]

Theory Biosci
Fimmel E, Saleh H, Strüngmann L.
europepmc   +1 more source

Engineering a Spin‐Orbit Bandgap in Graphene‐Tellurium Heterostructures

Advanced Functional Materials, EarlyView.
Tellurium intercalation in epitaxial graphene on Ir(111) enables the emergence of a spin–orbit‐induced bandgap with energy spin splitting. By combining STM, ARPES, spin‐resolved ARPES, and DFT, two structural phases are identified, both exhibiting tunable electronic doping.
Beatriz Muñiz Cano, Fabián Calleja, Daniela Pacilè, Marc G. Cuxart, Michele Pisarra, Antonello Sindona, Fernando Martín, Elena Salagre, Pilar Segovia, Enrique G. Michel, Amadeo. L. Vázquez de Parga, Rodolfo Miranda, Julio Camarero, Manuela Garnica, Miguel Angel Valbuena   +14 more
wiley   +1 more source

Estimation of Absolute Binding Free Energies for Drugs That Bind Multiple Proteins. [PDF]

J Chem Inf Model
Lindahl E, Friedman R.
europepmc   +1 more source

Sono‐Piezo‐Photosynthesis of Ethylene and Acetylene from Bioethanol under Ambient Conditions

Advanced Functional Materials, EarlyView.
A novel sono‐piezo‐photocatalytic strategy enables the conversion of bioethanol to ethylene (C2H4) and acetylene (C2H2) under ambient conditions, addressing the limitations of conventional methods that are high‐temperature and energy‐intensive. By using an advanced graphene oxide/sodium bismuth titanate heterostructure catalyst, this work achieved ...
Yue Jiang, Jiajun Zhang, Hongyang Ma, Shujie Zhou, Hsun‐Yen Lin, Sajjad S. Mofarah, Mark Lockrey, Teng Lu, Hangjuan Ren, Xiaoran Zheng, Maichael Gunawan, Suchen Huang, Yu‐Chun Huang, Fenglin Zhuo, Dali Ji, Judy N. Hart, Yun Liu, Jyh Ming Wu, Muthupandian Ashokkumar, Danyang Wang, Pramod Koshy, Charles C. Sorrell   +21 more
wiley   +1 more source

Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHA. [PDF]

J Chem Theory Comput
Storchi L, Bellentani L, Hammond J, Orlandini S, Pacifici L, Antonini N, Belpassi L.   +6 more
europepmc   +1 more source

Ab Initio Study on 3D Anisotropic Ferroelectric Switching Mechanism and Coercive Field in HfO2 and ZrO2

Advanced Functional Materials, EarlyView.
This study uncovers a new switching mechanism in HfO2 and ZrO2, where the absence of a non‐polar layer along the a‐direction induces interaction between polar layers. Consequently, the switching barriers for growth are lower than those for nucleation in this direction, leading to a size‐dependent coercive field that matches experimental observations ...
Kun Hee Ye, Taeyoung Jeong, Seungjae Yoon, Dohyun Kim, Yunjae Kim, Cheol Seong Hwang, Jung‐Hae Choi   +6 more
wiley   +1 more source

Path Integral Monte Carlo Simulation on Molecular Systems with Multiple Electronic Degrees of Freedom. [PDF]

J Chem Theory Comput
Hütter M, Ončák M.
europepmc   +1 more source