Results 181 to 190 of about 2,215,308 (245)

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

A Pilot Proteomic Analysis of Tear Fluid in Domestic Cats with and Without Conjunctivitis Using MALDI-TOF/TOF Mass Spectrometry. [PDF]

Animals (Basel)
Yogo T, Iino S, Katayama K.
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

Augmented reality (AR) rehabilitation for homonymous hemianopia: 'prism-free' field expansion via smart glasses. [PDF]

Ann Med Surg (Lond)
Ali FZ, Imtiaz E, Mahato RK, Jadoon M, Intikhab S.   +4 more
europepmc   +1 more source

Prospective Evaluation of Large Language Model Integration Into a Classical Hematology Case Conference. [PDF]

JMIR Form Res
Kewan T, Lee AI, Van Doren L.
europepmc   +1 more source

Comparison of protons and very high-energy electrons transmission pencil-beam-scanning for FLASH radiotherapy. [PDF]

Phys Imaging Radiat Oncol
Gesualdi F, Ermeneux L, Lansonneur P, Sitarz M, Loap P, Créhange G, Magliari A, De Marzi L.   +7 more
europepmc   +1 more source

JKO schemes with general transport costs. [PDF]

Calc Var Partial Differ Equ
Rankin C, Wong TL.
europepmc   +1 more source

Cooperative modular multilevel converter control based on PSO-optimized fuzzy-PI and hierarchical finite-state model predictive control. [PDF]

Sci Rep
Liu Y, Tian Y, Zhang W, Wang Y.
europepmc   +1 more source

Stepping forward: A study protocol for developing and validating a Malaysian diabetic foot self-care practice assessment instrument. [PDF]

PLoS One
Nair Narayanan D, Awang S.
europepmc   +1 more source