Showing 1 - 20 results of 355 for search '(((( algorithm phase function ) OR ( algorithm wave function ))) OR ( algorithm python function ))', query time: 0.64s Refine Results
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    <b>Opti2Phase</b>: Python scripts for two-stage focal reducer by Morgan Najera (21540776)

    Published 2025
    “…<p dir="ltr"><b>Opti2Phase: Python Scripts for Two-Stage Focal Reducer Design</b></p><p dir="ltr">The folder <b>Opti2Phase</b> contains the Python scripts used to generate the results presented in the manuscript. …”
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    Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

    Published 2025
    “…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). …”
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    EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

    Published 2025
    “…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”
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    Algorithm Parameter Setting. by Tong Zhou (3770)

    Published 2025
    “…This strategy uses the improved D3QN algorithm combined with the excellent smoothness of the sine function to evaluate driving safety, helping vehicles find suitable gaps in traffic flow. …”
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    (a): These systems were simulated for (0,3] and (0,3] without the prior knowledge about different phases, and the probability density function of points in feature space illustrate... by Ali Talebi (7164203)

    Published 2025
    “…(b): The dense areas are separated by removing the data less than threshold = 0.5 in the probability density function. (c): The centroid of each cluster is determined by the K-means algorithm.…”
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    Supporting Data for “All-temperature barocaloric effects at pressure-induced phase transitions” by Zhao Xueting (21796316)

    Published 2025
    “…The variable cell nudged elastic band method18 was employed to obtain the energy barrier of phase transition. The structure search for the low-temperature phase was conducted using the generic evolutionary algorithm implemented in the USPEX code<sup>42–44</sup>. …”