Density matrix quantum Monte Carlo with pseudopotential

• Grant number: 19/10837-1
• Support Opportunities: Scholarships abroad - Research Internship - Master's degree
• Start date: October 01, 2019
• End date: March 22, 2020
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Silvio Antonio Sachetto Vitiello
• Grantee: William Freitas e Silva
• Supervisor: William Matthew Colwyn Foulkes
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Institution abroad: Imperial College London, England
• Associated to the scholarship: 17/26117-2 - Properties of circular quantum dots, BP.MS

Abstract

One of the aims of this BEPE is to allow the student to expand his knowledge of quantum Monte Carlo methods, which will offers the possibility to make a better MSc at Unicamp. In the proposed work, to be performed under the supervision of Dr. Matthew Foulkes at Imperial College London, we will explore the ability to use pseudopotentials - essential to speed up the simulations - in an open-source density matrix quantum Monte Carlo (DMQMC) code. The idea is to reformulate the pseudopotential technique in the language of DMQMC, devise the algorithms, and write and test the code. We will apply the method to warm-densealuminium and study temperature-dependent properties. (AU)