Python for Quantum Chemistry

Grab the power to translate quantum chemistry theory into working code with Python for Quantum Chemistry by Qiming Sun. This practical, code-centered guide bridges advanced electronic-structure concepts and real-world implementation, making it essential for graduate students, researchers, and computational chemists across North America, Europe, Asia, and beyond.

Begin with clear, engaging explanations that connect foundational quantum-chemical methods to Python-based workflows. The book walks you through algorithmic building blocks—integrals, Hartree–Fock, post-Hartree–Fock methods, and density functional theory—emphasizing hands-on examples and reproducible code that accelerate learning and research. Readers appreciate the balance of mathematical clarity and pragmatic programming advice, enabling immediate application in academic labs, startup teams, and industrial R&D.

Why this title stands out: it’s written by an author active in computational chemistry, offering both theoretical insight and implementation best practices. Expect step-by-step demonstrations, performance-minded tips, and techniques to debug and optimize calculations—skills that reduce development time and elevate the reliability of your simulations.

Whether you’re building custom quantum-chemistry tools, teaching a computational course, or advancing research projects, this book equips you to turn complex methods into usable software. Bring clarity to your workflows, expand your coding toolkit, and join a global community of scientists accelerating discovery with Python.

Ready to code smarter and advance your research? Add Python for Quantum Chemistry by Qiming Sun to your collection and start transforming theory into practice today.

Note: eBooks do not include supplementary materials such as CDs, access codes, etc.