Structure optimization method based on automatic vectorization
Sign Up to like & getrecommendations! Published in 2020 at "Evolutionary Intelligence"
DOI: 10.1007/s12065-019-00229-2
Abstract: Structure is used more extensively used in program such as scientific computing. But the non-continuity and the non-aligment of vectorization structure array have a dramatic influence on the efficiency of program’s vectorizaton. To reduce the… read more here.
Keywords: structure optimization; optimization method; vectorization; structure ... See more keywords
Review of thermoelectric geometry and structure optimization for performance enhancement
Sign Up to like & getrecommendations! Published in 2020 at "Applied Energy"
DOI: 10.1016/j.apenergy.2020.115075
Abstract: Abstract Thermoelectric geometry and structure optimization are vital research areas which are being explored extensively in recent years due to significant performance enhancement achieved. However, the lack of a single review paper on this key… read more here.
Keywords: structure optimization; thermoelectric geometry; geometry structure; geometry ... See more keywords
An improved CFD modeling approach applied for the simulation of gas–liquid interaction in the ozone contactor along with structure optimization
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2019.123322
Abstract: Abstract An improved two-phase computational fluid dynamics (CFD) model has been developed by incorporation of Eulerian-Eulerian approach and user defined function (UDF) to address the liquid–gas flow and ozone reaction in an ozone contactor. Besides,… read more here.
Keywords: structure optimization; two phase; ozone contactor; model ... See more keywords
StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies
Sign Up to like & getrecommendations! Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.12.052
Abstract: Abstract StructOpt, an open-source structure optimization suite, applies genetic algorithm and particle swarm methods to obtain atomic structures that minimize an objective function. The objective function typically consists of the energy and the error between… read more here.
Keywords: microscopy; structure optimization; optimization suite; experimental data ... See more keywords
An Efficient Algorithm for Automatic Structure Optimization in X-ray Standing-Wave Experiments
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Electron Spectroscopy and Related Phenomena"
DOI: 10.1016/j.elspec.2018.10.006
Abstract: Abstract X-ray standing-wave photoemission experiments involving multilayered samples are emerging as unique probes of the buried interfaces that are ubiquitous in current device and materials research. Such data require for their analysis a structure optimization… read more here.
Keywords: ray standing; optimization; structure optimization; standing wave ... See more keywords
Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization
Sign Up to like & getrecommendations! Published in 2024 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.4c00898
Abstract: Chemical structure optimization is a vital part of early drug discovery projects. Starting with compounds that show activity on the target of interest, the chemical structures are subsequently optimized toward a development candidate (DC) molecule… read more here.
Keywords: chemistry; structure optimization; chemical structure; drug ... See more keywords
Structure Optimization of Gatastatin for the Development of γ-Tubulin-Specific Inhibitor.
Sign Up to like & getrecommendations! Published in 2020 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.9b00526
Abstract: Gatastatin (O 7-benzyl glaziovianin A) is a γ-tubulin-specific inhibitor that is used to investigate γ-tubulin function in cells. We have previously reported that the unsubstituted phenyl ring of the O 7-benzyl group in gatastatin is… read more here.
Keywords: tubulin specific; structure optimization; gatastatin; specific inhibitor ... See more keywords
Three-Dimensional Structure and Optimization of the Metallo-β-Lactamase Inhibitor Aspergillomarasmine A
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.1c05757
Abstract: The aminopolycarboxylic acid aspergillomarasmine A (AMA) is a natural Zn2+ metallophore and inhibitor of metallo-β-lactamases (MBLs) which reverses β-lactam resistance. The first crystal structure of an AMA coordination complex is reported and reveals a pentadentate… read more here.
Keywords: structure optimization; structure; inhibitor; dimensional structure ... See more keywords
Electronic Structure Optimization of PdZn-Graphitic Carbon Nitride Nanocomposites as Electrocatalysts for Selective CO2 to CO Conversion
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c01216
Abstract: Herein, a novel PdZn/g-C3N4 nanocomposite electrocatalyst, PdZnGCN, prepared from a facile hydrothermal reduction procedure for an efficient CO2 to CO conversion has been examined. This composite catalyst reduces CO2 at a thermodynamic overpotential of 0.79… read more here.
Keywords: optimization pdzn; structure optimization; electronic structure; co2 conversion ... See more keywords
Research on Armature Structure Optimization of Rail Gun Based on Multiple Linear Regression
Sign Up to like & getrecommendations! Published in 2019 at "IEEE Transactions on Plasma Science"
DOI: 10.1109/tps.2019.2942623
Abstract: The armature structure is the key to the electromagnetic orbit emission. In the initial stage of launch, a good initial contact between the armature and the orbit can effectively avoid transition. First, an L16(54) orthogonal… read more here.
Keywords: structure optimization; armature structure; based multiple; armature ... See more keywords
Bucket structure optimization of backhoe hydraulic excavator based on compound digging trajectory and limit digging force
Sign Up to like & getrecommendations! Published in 2022 at "Advances in Mechanical Engineering"
DOI: 10.1177/16878132221092988
Abstract: A bucket structure optimization method based on compound digging trajectory and limit digging force was proposed for the problem that the real digging resistance of excavators is difficult to measure and difficult to use as… read more here.
Keywords: structure optimization; digging trajectory; digging force; bucket ... See more keywords