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62

Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches
Austrian Science Fund ; Wanzenböck, Ralf ; Buchner, Florian ; et al.

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63

Learn Python Programming
Romano, Fabrizio ; Romano, Fabrizio ; Romano, Fabrizio ; et al.

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64

Machine learning assisted canonical sampling (Mlacs).
Castellano, Aloïs ; Béjaud, Romuald ; Richard, Pauline ; et al.
Computer Physics Communications. Nov2025, Vol. 316, pN.PAG-N.PAG. 1p.

MACHINE learning AB-initio calculations DENSITY functional theor... STATISTICAL sampling ITERATIVE learning contr... PYTHON programming langu...
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65

On parallel software engineering education using python.
Marowka, Ami
Education & Information Technologies. Jan2018, Vol. 23 Issue 1, p357-372. 16p.

Computers in education Parallel computer softwa... Software engineering Programming languages Parallel programming
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66

Hands-On Reactive Programming with Python
Picard, Romain ; Picard, Romain ; Picard, Romain ; et al.

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67

Integrating Data Science into an Econometrics Course with a Kaggle Competition
Kuroki, Masanori
15

Statistics Education Teaching Methods Competition Prediction Models Undergraduate Students
Fachzeitschrift
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68

Functional programming in Python
Mertz, David

Computing and Computers
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69

Maya Programming with Python Cookbook
Herbez, Adrian ; Herbez, Adrian ; Herbez, Adrian ; et al.

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70

LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP.
Dang, Khanh ; Chen, Jie ; Rodgers, Brian ; et al.
Computer Physics Communications. May2023, Vol. 286, pN.PAG-N.PAG. 1p.

PYTHON programming langu... BULK modulus RADIAL distribution func... LAVA MODULUS of rigidity ELASTICITY
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71

Models of configurationally-complex alloys made simple.
Gehringer, Dominik ; Friák, Martin ; Holec, David
Computer Physics Communications. May2023, Vol. 286, pN.PAG-N.PAG. 1p.

PYTHON programming langu... CONDENSED matter physics MATERIALS science ATOMIC structure DENSITY functional theor... MATERIALS analysis
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72

chemtrain: Learning deep potential models via automatic differentiation and statistical physics.
Fuchs, Paul ; Thaler, Stephan ; Röcken, Sebastien ; et al.
Computer Physics Communications. May2025, Vol. 310, pN.PAG-N.PAG. 1p.

ARTIFICIAL neural networ... MACHINE learning FUNCTIONAL programming (... AUTOMATIC differentiatio... STATISTICAL physics
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73

TB2J: A python package for computing magnetic interaction parameters
Communauté Française de Belgique ; Fédération Wallonie-Bruxelles ; European Commission ; et al.

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74

AMP2: A fully automated program for ab initio calculations of crystalline materials.
Youn, Yong ; Lee, Miso ; Hong, Changho ; et al.
Computer Physics Communications. Nov2020, Vol. 256, pN.PAG-N.PAG. 1p.

BAND gaps PYTHON programming langu... MATERIALS science DENSITY functional theor... ISING model
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75

STARGATE-X: a Python package for statistical analysis on the REACTOME network
Marino, Andrea ; Sinaimeri, Blerina ; Tronci, Enrico ; et al.
Journal of Integrative Bioinformatics. 20(3)

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76

Beyond Single LLMs: Enhanced Code Generation via Multi-Stage Performance-Guided LLM Orchestration
Chen, Huashan ; Qi, Zhenyu ; Li, Haotang ; et al.

Software Engineering
Report
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77

ADAQ-SYM: Automated symmetry analysis of defect orbitals.
Stenlund, William ; Davidsson, Joel ; Armiento, Rickard ; et al.
Computer Physics Communications. Mar2025, Vol. 308, pN.PAG-N.PAG. 1p.

POINT defects DENSITY functional theor... SEMICONDUCTOR defects BAND gaps MANUAL labor PYTHON programming langu...
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78

Hands-On Reactive Programming with Python
Romain Picard ; Romain Picard ; Romain Picard ; et al.
2018

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79

TB2J: A python package for computing magnetic interaction parameters.
He, Xu ; Helbig, Nicole ; Verstraete, Matthieu J. ; et al.
Computer Physics Communications. Jul2021, Vol. 264, pN.PAG-N.PAG. 1p.

PYTHON programming langu... GREEN'S functions HEISENBERG model MAGNETIC crystals ELECTRONIC structure MAGNONS
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80

Hands-On Reactive Programming with Python
Romain Picard ; Romain Picard ; Romain Picard ; et al.
2018

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