The recently published book by Senior Researcher Vesa Apaja from the Department of Physics at the University of Jyväskylä (Finland), explores the quantum Monte Carlo method, which is widely used in physics and another field of sciences. This is not just a theoretical book, it arms with practical insights through sample codes, enabling to deconstruct, analyze, and enhance existing algorithms. Ultimately, it showcases that Quantum Monte Carlo isn't just a numerical tool. It's an expedition that reveals the hidden facets of the quantum world.
The new book "A Practical Course on Quantum Monte Carlo” is intended for advanced quantum mechanics experts who are interested in numerical problem solving. The book covers the quantum Monte Carlo method, which can be used to calculate the properties of quantum mechanical systems very accurately on a computer using random numbers. The method is used to determine the properties of atoms, molecules and fluids.
- The method is suitable for anything that can be described by the Schrödinger equation. The only practical limitations are computing capacity and time. Most challenging are the many-fermion finite temperature systems. Quantum Monte Carlo has been used to calculate electron structure, 2D interfaces, equations of state for solids, ice, ultracold atomic gases, the Hubbard model, quantum dots, and low-temperature quantum phenomena, explains Senior Researcher Vesa Apaja from the University of Jyväskylä.
The book is very multidisciplinary and practical. It contains examples from hydrogen and helium atoms to multi-electron atoms and quantum liquids. In addition, the book includes programs that are available to everyone.
- The programs in the book are written in Python and Julia, and are freely available and can be used from Github, says Apaja.
Modeling quantum phenomena using numerical methods interests the researcher
The book was written by Senior Researcher Vesa Apaja from the Department of Physics at the University of Jyväskylä, who became interested in the Monte Carlo method while studying in the 1980s. Apaja fascinates most about the quantum Monte Carlo method the opportunity to explore different approaches. In addition, teaching and trying to explain quantum mechanical phenomena through numerics is particularly rewarding.
- I was unable to pursue my dissertation on the subject because of unforeseen circumstances, but the idea continues to weigh on me. I wrote my first parallel quantum Monte Carlo program in the mid 1990s, remembers Apaja.
Apaja has been lecturing on quantum Monte Carlo methods at the University of Jyväskylä for several years. Now he has been given the opportunity to put all the material in a book.
- The book contains much more material than could be covered in a normal course, and thousands of lines of code were collected, laughs Apaja.
The book “A Practical Course on Quantum Monte Carlo” can be found at https://iopscience.iop.org/book/mono/978-0-7503-6310-5
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