Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

“…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …”

(a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions). by Yu Liu (6938)

“…<p>(a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions).…”

HIL test results of curved road: (a)Vehicle velocity; (b) Braking distance; (c) Lateral displacement; (d) Lateral acceleration; (e)Vehicle sideslip angle; (f) Yaw rate. by Honglei Pang (22693724)

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Simulation Results Plot of the SBW System Response: (a) Step response curve of the SBW system; (b) Sine response curve of the SBW system; (c) Steady state error curve of the SBW sy... by Honglei Pang (22693724)

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Simulation Results Plot of the EMB System Response: (a) Step response curve of the EMB system; (b) Sine response curve of the EMB system; (c) Steady state error curve of the EMB sy... by Honglei Pang (22693724)

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HIL test results of low-adhesion road: (a)Vehicle velocity; (b) Braking distance; (c) Lateral displacement; (d) Lateral acceleration; (e)Vehicle sideslip angle; (f) Yaw rate. by Honglei Pang (22693724)

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HIL test results of split-μ road: (a)Vehicle velocity; (b) Braking distance; (c) Lateral displacement; (d) Lateral acceleration; (e)Vehicle sideslip angle; (f) Yaw rate. by Honglei Pang (22693724)

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Braking performance and lateral stability on curved road surfaces: (a)Vehicle velocity; (b) Braking distance; (c) Lateral displacement; (d) Lateral acceleration; (e)Vehicle sidesli... by Honglei Pang (22693724)

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Braking performance and lateral stability on low-adhesion road surfaces: (a)Vehicle velocity; (b) Braking distance; (c) Lateral displacement; (d) Lateral acceleration; (e)Vehicle s... by Honglei Pang (22693724)

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Braking performance and lateral stability on split-μ road surfaces: (a)Vehicle velocity; (b) Braking distance; (c) Lateral displacement; (d) Lateral acceleration; (e)Vehicle sidesl... by Honglei Pang (22693724)

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ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…The “ADT” program can be efficiently used to (a) formulate analytic functional forms of differential equations for ADT angles and diabatic potential energy matrix and (b) solve the set of coupled differential equations numerically to evaluate ADT angles, residue due to singularity­(ies), ADT matrices, and finally, diabatic potential energy surfaces (PESs). …”

Comparison of algorithms in two cases. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Flow of the NSGA-II algorithm. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data by Anthony S. Barente (14035175)

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Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by Pascal Wang (10130612)

“…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …”

Performance metrics of 28 and 9 SNPs in predicting NPC. by Ka Wo Wong (18625847)

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BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data by Jean-Christophe Lachance (6619307)

“…Despite its importance, no standardized computational platform is currently available to generate species-specific biomass objective functions in a data-driven, unbiased fashion. To fill this gap in the metabolic modeling software ecosystem, we implemented BOFdat, a Python package for the definition of a <b>B</b>iomass <b>O</b>bjective <b>F</b>unction from experimental <b>dat</b>a. …”

EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”

The schematic view of the Radial Basis Function (RBF) algorithm. by Mohsen Yoosefzadeh-Najafabadi (6917399)

The optimal solution set of NYN by using different algorithms. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”