Zur Startseite gehen
0,00 €*
Cover: 9781009102049 | Python for Chemists | Christian Hill | Taschenbuch | Englisch | 2023
Dekorationsartikel gehören nicht zum Leistungsumfang.
Python for Chemists
Taschenbuch von Christian Hill
Sprache: Englisch

47,35 €*

inkl. MwSt.

Versandkostenfrei per Post / DHL

auf Lager, Lieferzeit 1-2 Werktage

Kategorien:
Beschreibung
This accessible and self-contained guide provides a comprehensive introduction to the popular programming language Python, with a focus on applications in chemistry and chemical physics. Ideally suited to students and researchers of chemistry learning to employ Python for problem-solving in their research, this fast-paced primer first builds a solid foundation in the programming language before progressing to advanced concepts and applications in chemistry. The required syntax and data structures are established, and then applied to solve problems computationally. Popular numerical packages are described in detail, including NumPy, SciPy, Matplotlib, SymPy, and pandas. End of chapter problems are included throughout, with worked solutions available within the book. Additional resources, datasets, and Jupyter Notebooks are provided on a companion website, allowing readers to reinforce their understanding and gain confidence applying their knowledge through a hands-on approach.
This accessible and self-contained guide provides a comprehensive introduction to the popular programming language Python, with a focus on applications in chemistry and chemical physics. Ideally suited to students and researchers of chemistry learning to employ Python for problem-solving in their research, this fast-paced primer first builds a solid foundation in the programming language before progressing to advanced concepts and applications in chemistry. The required syntax and data structures are established, and then applied to solve problems computationally. Popular numerical packages are described in detail, including NumPy, SciPy, Matplotlib, SymPy, and pandas. End of chapter problems are included throughout, with worked solutions available within the book. Additional resources, datasets, and Jupyter Notebooks are provided on a companion website, allowing readers to reinforce their understanding and gain confidence applying their knowledge through a hands-on approach.
Über den Autor
Christian Hill is a physicist and physical chemist with over twenty-five years' experience in scientific programming, data analysis and database design in atomic and molecular physics. Currently the Head of the Atomic and Molecular Data Unit at International Atomic Energy Agency, Vienna, he has previously held positions at the University of Cambridge, the University of Oxford, and University College London.
Inhaltsverzeichnis
1. Introduction; 2. Basic Python usage; 3. Strings; 4. Lists and loops; 5. Comparisons and flow control; 6. Functions; 7. Data structures; 8. File input/output; 9. Basic numpy; 10. Graph plotting with Matplotlib; 11. The steady-state approximation; 12. Liquid-vapour equilibrium; 13. Jupyter notebook; 14. LaTeX; 15. Chemistry databases and file formats; 16. More NumPy and Matplotlib; 17. Thermodynamic cycles; 18. Vectors, matrices and linear algebra; 19. Linear least squares fitting I; 20. Linear least squares fitting II; 21. Numerical integration; 22. Optimization with scipy.optimize; 23. Vibrational spectroscopy; 24. The morse oscillator; 25. Solving ordinary differential equations; 26. The oregonator; 27. Root-finding with scipy.optimize; 28. Rotational spectroscopy; 29. Peak finding; 30. Fitting the vibrational spectrum of CO; 31. pandas; 32. Simulating a powder diffraction spectrum; 33. The Hückel approximation; 34. Nonlinear fitting and constrained optimization; 35. SymPy; 36. Molecular orbital theory for H2+; 37. Approximations of the helium atom electronic energy; 38. Computational chemistry with Psi4 and Python; 39. Atomic structure; 40. Solutions.
Details
Erscheinungsjahr: 2023
Fachbereich: Allgemeine Lexika
Genre: Chemie
Rubrik: Naturwissenschaften & Technik
Medium: Taschenbuch
ISBN-13: 9781009102049
ISBN-10: 1009102044
Sprache: Englisch
Einband: Kartoniert / Broschiert
Autor: Hill, Christian
Hersteller: Cambridge University Pr.
Abbildungen: Worked examples or Exercises
Maße: 242 x 165 x 31 mm
Von/Mit: Christian Hill
Erscheinungsdatum: 26.10.2023
Gewicht: 0,954 kg
Artikel-ID: 126923443
Über den Autor
Christian Hill is a physicist and physical chemist with over twenty-five years' experience in scientific programming, data analysis and database design in atomic and molecular physics. Currently the Head of the Atomic and Molecular Data Unit at International Atomic Energy Agency, Vienna, he has previously held positions at the University of Cambridge, the University of Oxford, and University College London.
Inhaltsverzeichnis
1. Introduction; 2. Basic Python usage; 3. Strings; 4. Lists and loops; 5. Comparisons and flow control; 6. Functions; 7. Data structures; 8. File input/output; 9. Basic numpy; 10. Graph plotting with Matplotlib; 11. The steady-state approximation; 12. Liquid-vapour equilibrium; 13. Jupyter notebook; 14. LaTeX; 15. Chemistry databases and file formats; 16. More NumPy and Matplotlib; 17. Thermodynamic cycles; 18. Vectors, matrices and linear algebra; 19. Linear least squares fitting I; 20. Linear least squares fitting II; 21. Numerical integration; 22. Optimization with scipy.optimize; 23. Vibrational spectroscopy; 24. The morse oscillator; 25. Solving ordinary differential equations; 26. The oregonator; 27. Root-finding with scipy.optimize; 28. Rotational spectroscopy; 29. Peak finding; 30. Fitting the vibrational spectrum of CO; 31. pandas; 32. Simulating a powder diffraction spectrum; 33. The Hückel approximation; 34. Nonlinear fitting and constrained optimization; 35. SymPy; 36. Molecular orbital theory for H2+; 37. Approximations of the helium atom electronic energy; 38. Computational chemistry with Psi4 and Python; 39. Atomic structure; 40. Solutions.
Details
Erscheinungsjahr: 2023
Fachbereich: Allgemeine Lexika
Genre: Chemie
Rubrik: Naturwissenschaften & Technik
Medium: Taschenbuch
ISBN-13: 9781009102049
ISBN-10: 1009102044
Sprache: Englisch
Einband: Kartoniert / Broschiert
Autor: Hill, Christian
Hersteller: Cambridge University Pr.
Abbildungen: Worked examples or Exercises
Maße: 242 x 165 x 31 mm
Von/Mit: Christian Hill
Erscheinungsdatum: 26.10.2023
Gewicht: 0,954 kg
Artikel-ID: 126923443
Warnhinweis

Ähnliche Produkte

Ähnliche Produkte

Taschenbuch
Cover: 9780471498940 | Proteins | Structure and Function | David Whitford | Taschenbuch
Proteins
Structure and Function
EAN: 9780471498940
Sprache: Englisch
Von/Mit: David Whitford

76,95 €*

Lieferzeit 1-2 Wochen

Buch
Cover: 9783319281711 | Quantum Field Theory | The Why, What and How | Thanu Padmanabhan
Quantum Field Theory
The Why, What and How
EAN: 9783319281711
Sprache: Englisch
Von/Mit: Thanu Padmanabhan

59,45 €*

Lieferzeit 1-2 Wochen

Buch
Cover: 9781107029118 | Superstring Theory | Michael B. Green (u. a.) | Buch | Englisch | 2015
Superstring Theory
EAN: 9781107029118
Sprache: Englisch
Von/Mit: Michael B. Green (u. a.)

75,80 €*

Lieferzeit 1-2 Wochen

Bundle
Cover: 9783446436930 | Technologie der Extrusion | Helmut Greif (u. a.) | Bundle | 1 Buch
Technologie der Extrusion
Lern- und Arbeitsbuch für die Aus- und Weiterbildung
EAN: 9783446436930
Sprache: Deutsch
Von/Mit: Helmut Greif (u. a.)

39,00 €*

Lieferzeit 1-2 Werktage

Taschenbuch
Cover: 9780571321827 | The Universe Speaks in Numbers | Graham Farmelo | Taschenbuch | 336 S.
The Universe Speaks in Numbers
How Modern Maths Reveals Nature's Deepest Secrets
EAN: 9780571321827
Sprache: Englisch
Von/Mit: Graham Farmelo

14,95 €*

Lieferzeit 1-2 Werktage

Taschenbuch
Cover: 9783658286446 | Temperatur und Wärme - was ist das wirklich? | Klaus Stierstadt | Buch
Temperatur und Wärme ¿ was ist das wirklich?
Ein Überblick über die Definitionen in der Thermodynamik
EAN: 9783658286446
Sprache: Deutsch
Von/Mit: Klaus Stierstadt

14,99 €*

Lieferzeit 4-7 Werktage

Buch
Cover: 9780998276526 | Psyche Unbound: Essays in Honor of Stanislav Grof | Buch | Englisch
Psyche Unbound
Essays in Honor of Stanislav Grof
EAN: 9780998276526
Sprache: Englisch
Von/Mit: Richard Tarnas

35,30 €*

Lieferzeit 1-2 Wochen

Taschenbuch
Cover: 9781478017752 | Plastic Matter | Heather Davis | Taschenbuch | Englisch | 2022
Plastic Matter
EAN: 9781478017752
Sprache: Englisch
Von/Mit: Heather Davis

24,40 €*

Lieferzeit 1-2 Werktage

Taschenbuch
Cover: 9783968221663 | Tooltips for Theoretical Physics | Björn Malte Schäfer | Taschenbuch
Tooltips for Theoretical Physics
Concepts of Modern Theoretical Physics, Scales and Mathematical Tools
EAN: 9783968221663
Sprache: Englisch
Von/Mit: Björn Malte Schäfer

21,90 €*

Lieferzeit 4-7 Werktage

Buch
Cover: 9783446477988 | Kunststoffchemie für Ingenieure | Von der Synthese bis zur Anwendung
Kunststoffchemie für Ingenieure
Von der Synthese bis zur Anwendung
EAN: 9783446477988
Sprache: Deutsch
Von/Mit: Wolfgang Kaiser

59,99 €*

Lieferzeit 1-2 Werktage

Diese Website verwendet Cookies, um eine bestmögliche Erfahrung bieten zu können. Mehr Informationen ...