High Performance Computing in Quantum Matter

Code:

FIS4046

Acronym:

FIS4046

Level:

400

Keywords
Classification	Keyword
OFICIAL	Physics

Instance: 2023/2024 - 2S

Active?	Yes
Responsible unit:	Department of Physics and Astronomy
Course/CS Responsible:	Master in Physics

Cycles of Study/Courses

Acronym	No. of Students	Study Plan	Curricular Years	Credits UCN	Credits ECTS	Contact hours	Total Time
M:F	9	Official Study Plan	1	-	6	42	162

Teaching language

English

Objectives

Learn the main concepts of parallel programming and be exposed to advanced quantum computing algorithms.

Learning outcomes and competences

Being able to interpret a problem, translate it into numerical methods, choose the parallelization approach, implement using parallelization techniques and manage the processes in an HPC infrastructure.

Working method

Presencial

Pre-requirements (prior knowledge) and co-requirements (common knowledge)

Knowledge of Quantum Mechanics, Statistical Physics, Solid State Physics, numerical methods, and C (or C++) programming.

Program

Key ideas of HPC and parallelization architectures.
Introduction to OpenMP.
Domain decomposition. Spectral methods and exact diagonalization methods.
Introduction to MPI.
Introduction to CUDA.
Study of electronic transport problems, with and without disorder, in independent electron systems.
Study of problems with interaction.
Monte Carlo method stochastic series expansion, exact diagonalization, and the determinant method.

Mandatory literature

Robert Robey; Parallel and high performance computing. ISBN: 978-1-63835-038-5 e-book
J. E. Gubernatis; Quantum Monte Carlo methods. ISBN: 978-1-107-00642-3
Federico Becca; Quantum Monte Carlo approaches for correlated systems. ISBN: 978-1-107-12993-1
H. Fehske, R. Schneider, A. Weiße; Computational Many-Particle Physics, H. Fehske, R. Schneider, A. Weiße, 2008. ISBN: 978-3-540-74686-7

Teaching methods and learning activities

Theoretical classes with the exposition of contents. Practical lessons with the computational implementation of the proposed problems.

Software

gcc or intel compiler
mpi distribution
Linux

Evaluation Type

Distributed evaluation without final exam

Assessment Components

designation	Weight (%)
Participação presencial	10,00
Prova oral	20,00
Trabalho escrito	70,00
Total:	100,00

Amount of time allocated to each course unit

designation	Time (hours)
Estudo autónomo	80,00
Trabalho escrito	20,00
Elaboração de projeto	20,00
Frequência das aulas	42,00
Total:	162,00

Eligibility for exams

Each student must not miss more than 1/4 1/4 of the given practical classes. And obtain a grade greater than 50% in the evaluation elements.

Calculation formula of final grade

During the semester, 3 written works will be done to be delivered. Of these works,
- Two will be shorter and will have the form of a guided project and will be evaluated with 20% each.
- The third will take the form of a project and must be presented in the form of a written work (30%) with oral exam (20%).

The activity in the practical classes will be evaluated by 10%.

Examinations or Special Assignments

Internship work/project

Special assessment (TE, DA, ...)

Classification improvement

Only the improvement of the grade could only be made in the component associated with the project and respective oral exam.

Observations

The Jury of the unit is
João Viana Lopes
Vítor Pereira
Augusto Rodrigues