This thesis presents and develops the path integral simulation techniques in application to small quantum systems at finite temperatures. The first goal is to obtain exact thermodynamic expressions for systems of noninteracting The rest and the major part of the thesis is dedicated to the development and testing of Bead-Fourier path integral molecular dynamics. Although, path integral molecular dynamics as well as path integral Monte Carlo are well First, molecular dynamics under Bead-Fourier scheme was developed and tested on the examples of quantum harmonic oscillator and Hydrogen atom. The main attention was paid to ergodicity problems. Then we addressed the question, Later, the formalism for identical particles was developed. Finally, t...
Abstract: Imaginary-time path-integral or ‘ring-polymer’ methods have been used to simulate quantum ...
Methods for including quantum mechanical effects in molecular dynamics (MD) simulations are discusse...
Path integral Monte Carlo (PIMC) is a method suitable for quantum liquid simulations at finite tempe...
This thesis presents and develops the path integral simulation techniques in application to small qu...
This thesis presents and develops the path integral simulation techniques in application to small qu...
The author discusses simulation methods for quantum mechanical systems at finite temperatures. Recen...
The path integral picture of the statistical mechanics of quantum many-body systems is presented fro...
The thesis focuses on the path integral Monte Carlo method. This method is used for simulations of q...
Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2023, Tutors:...
The work presented in this thesis is based on the Feynman path integral formalism for quantum statis...
The work presented in this thesis is based on the Feynman path integral formalism for quantum statis...
The path-integral formulation of the statistical mechanics of quantum many-body systems is described...
We develop a new Quantum Molecular Dynamics simulation method. The method is based on the discretize...
Path integral Monte Carlo is a proven method for accurately simulating quantum mechanical systems at...
Methods for including quantum mechanical effects in molecular dynamics (MD) simulations are discusse...
Abstract: Imaginary-time path-integral or ‘ring-polymer’ methods have been used to simulate quantum ...
Methods for including quantum mechanical effects in molecular dynamics (MD) simulations are discusse...
Path integral Monte Carlo (PIMC) is a method suitable for quantum liquid simulations at finite tempe...
This thesis presents and develops the path integral simulation techniques in application to small qu...
This thesis presents and develops the path integral simulation techniques in application to small qu...
The author discusses simulation methods for quantum mechanical systems at finite temperatures. Recen...
The path integral picture of the statistical mechanics of quantum many-body systems is presented fro...
The thesis focuses on the path integral Monte Carlo method. This method is used for simulations of q...
Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2023, Tutors:...
The work presented in this thesis is based on the Feynman path integral formalism for quantum statis...
The work presented in this thesis is based on the Feynman path integral formalism for quantum statis...
The path-integral formulation of the statistical mechanics of quantum many-body systems is described...
We develop a new Quantum Molecular Dynamics simulation method. The method is based on the discretize...
Path integral Monte Carlo is a proven method for accurately simulating quantum mechanical systems at...
Methods for including quantum mechanical effects in molecular dynamics (MD) simulations are discusse...
Abstract: Imaginary-time path-integral or ‘ring-polymer’ methods have been used to simulate quantum ...
Methods for including quantum mechanical effects in molecular dynamics (MD) simulations are discusse...
Path integral Monte Carlo (PIMC) is a method suitable for quantum liquid simulations at finite tempe...