• Suche: Simulation with Python

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61

Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials
Wilson, Woodrow N. ; Bharadwaj, Vivek S. ; Rai, Neeraj
Journal of Chemical Theory and Computation. 21(20):10131-10141

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63

Optimal Roof Strategy for Mitigating Urban Heat Island in Hot Arid Climates: Simulation and Python-Based Multi-Criteria Decision Analysis.
Alaa, Rehab ; Elbalazi, Amira ; Ismaeel, Walaa S.E.
Urban Science; Aug2025, Vol. 9 Issue 8, p310, 23p

GREEN roofs MULTIPLE criteria decisi... URBAN heat islands ARID regions climate COMPUTER simulation CLIMATE change …
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65

Analysis and Visualization of Multi-Scale Astrophysical Simulations using Python and NumPy
Conference: Presented at7th Annual Python in Science Conference, , 8/19/2008-8/24/2008

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66

PolyPal: A Python Package for Molecular Dynamics Simulation of Amorphous Polymers
Warndorf, Molly C. ; Swager, Timothy M. ; Alexander-Katz, Alfredo
Journal of Chemical Theory and Computation. 21(12):6151-6160

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68

PaCS-Q: Python Toolkits for Path Sampling in MD and QM/MM MD Simulation
Duan, Lian ; Hengphasatporn, Kowit ; Shigeta, Yasuteru
Journal of Chemical Information and Modeling. 65(13):6441-6445

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70

Teacups, a Python Package for the Simulation of Time-Resolved EPR Spectra of Spin-Polarized Multi-Spin Systems
Quintes, Theresia ; Weber, Stefan ; Richert, Sabine
The Journal of Physical Chemistry A. 129(14):3375-3388

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71

Python Machine Learning Interface for Turbulence Simulations.
Ling, Julia
Conference: Proposed for presentation at the Student Intern Symposium held July 27, 2016 in Livermore, CA.

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72

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
Jo, Se-Hee ; Lee, Jina ; Won, Wangyun ; et al.
ACS Omega. 10(3):2949-2957

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73

Modeling and Simulation in Python
Jason M. Kinser ; Jason M. Kinser

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74

Introducing GPU Acceleration into the Python-Based Simulations of Chemistry Framework
Li, Rui ; Sun, Qiming ; Zhang, Xing ; et al.
The Journal of Physical Chemistry A. 129(5):1459-1468

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75

3. Python pour l’ingénierie numérique et la simulation
Nguyen, Nicolas ; Damin, Walter ; Fontes, Mathieu ; et al.
IPT - Informatique pour tous. 2018, p. 27-34.

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76

Teaching Heterogeneous Electrocatalytic Water Oxidation with Nickel- and Cobalt-Based Catalysts Using Cyclic Voltammetry and Python Simulation
Qiu, Jingjing ; Moeller, Anneke ; Zhen, Janet ; et al.
Journal of Chemical Education. 100(8):3036-3043

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77

PUCHIK: A Python Package To Analyze Molecular Dynamics Simulations of Aspherical Nanoparticles
Ishkhanyan, Hrachya ; Santana-Bonilla, Alejandro ; Lorenz, Christian D.
Journal of Chemical Information and Modeling. 65(4):1694-1701

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78

CONTROL OF THE UNITS OF MEASUREMENT OF PHYSICAL QUANTITIES IN MATHEMATICAL SIMULATION ON PYTHON
Ivan Semenov ; Mark Shishkin
Modern Technologies and Scientific and Technological Progress. 2023:135-136

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79

WEDAP: A Python Package for Streamlined Plotting of Molecular Simulation Data
Yang, Darian T. ; Chong, Lillian T.
Journal of Chemical Information and Modeling. 64(15):5749-5755

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80

District-Heating-Grid Simulation in Python: DiGriPy
Lena Vorspel ; Jens Bücker
Computation, Vol 9, Iss 6, p 72 (2021)

district heating network grid simulation heat demand open-source software Python Electronic computers. Co... …
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