ODT - THESIS TOPIC: László Túri: The development of a ...


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Thesis topic proposal

The development of a new mixed quantum-classical molecular dynamics simulation method.

THESIS TOPIC PROPOSAL

Institute: Eötvös Loránd University, Budapest
chemistry
György Hevesy Doctoral School of Chemistry

Thesis supervisor: László Túri
Location of studies (in Hungarian): Eötvös Loránd University, Faculty of Science, Institute of Chemistry
Abbreviation of location of studies: ELTE

Description of the research topic:

The aim of the project is to develop a novel molecular dynamics simulation method that consistently treats the quantum mechanically described, smaller, but chemically more relevant part of the examined system and its classically treated environment. One of the addressed questions is the implementation of multiple time- and size scale algorithms in the formalism.

Required language skills: English
Further requirements:
Computer programming experience

Number of students who can be accepted: 1

Deadline for application: 2018-05-31

2024. IV. 17.
ODT ülés
Az ODT következő ülésére 2024. június 14-én, pénteken 10.00 órakor kerül sor a Semmelweis Egyetem Szenátusi termében (Bp. Üllői út 26. I. emelet).