Results 181 to 190 of about 12,723,087 (291)

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

From local production to global consumption: Assessing the carbon footprints of Chinese cities in global value chains. [PDF]

PNAS Nexus
Wang S, Liang J, Shan Y, Fang C, Bai X.
europepmc   +1 more source

Beyond the Carry Trade: Optimal Currency Portfolios

, 2015
Pedro Barroso, Pedro Santa-clara
semanticscholar   +1 more source

Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries

Advanced Functional Materials, EarlyView.
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai, Xiaoyu Huo, Xin Long, Enkang Fu, Xusong Gong, Lei Wei, Liang An   +6 more
wiley   +1 more source

Real-Time Wood Chemotyping Using a Low-Cost and Compact Mass Spectrometer. [PDF]

ACS Omega
Monteiro TVC, Fioramonte M, Pirolla R, Gontijo AB, Nascimento CS, Higuchi N, Jardim MAG, Fasciotti M.   +7 more
europepmc   +1 more source

In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon, Han‐Gyun Lim, Jinyoung Kim, Gyu Min Kim, Seojun Lee, Jun Ryu, SungWon Cho, Jincheol Kim, Hyosung Choi, Jung Sang Cho, Jongsung Park, Dong‐Won Kang   +11 more
wiley   +1 more source

Scales of risk and adaptive 'dread': an evolutionary theory of risk inflation. [PDF]

Sci Rep
McNamara JM, Dall SRX, Houston AI.
europepmc   +1 more source

Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu, Zhenfeng Li, Yue Fei, Ali Mohammadi, Ge Li   +4 more
wiley   +1 more source

Network dynamics of international food waste trade: Evidence from the COVID-19 disruption. [PDF]

Curr Res Food Sci
Mohammadi N, Maghsoudi M.
europepmc   +1 more source

Auxeticity‐by‐Assembly: Interlocking Modular Auxetic Metamaterials with Selectively Activatable AgNW–Graphene Oxide‐EGaIn Composite Interconnects for Scalable Freeform Photovoltaic Modules

Advanced Functional Materials, EarlyView.
Auxeticity‑by‑Assembly converts freeform photovoltaics from cut‑defined layouts to assembly‑defined systems. Standardized interlocking units generate negative‑Poisson‑ratio, reconfigurable architectures, while hinge regions are wired by selectively activatable AgNW–GO@EGaIn composite interconnects and a folding‑enabled interconnector layer. A decimeter‑
Seok Joon Hwang, Jiwon Ryu, Dae‐Hee Cho, YoungHoi Cho, Yewon Hwang, Haram Lee, Dong Hoe Kim, Byeong‐Kwon Ju, Seok Chung, Deokjae Choi, Gee Yeong Kim, Heesuk Jung, Taehee Kim, Hyeonggeun Yu, Gabseok Seo, Phillip Lee   +15 more
wiley   +1 more source