Skip to main content
Przejdź do strony domowej Komisji Europejskiej (odnośnik otworzy się w nowym oknie)
polski pl
CORDIS - Wyniki badań wspieranych przez UE
CORDIS
Zawartość zarchiwizowana w dniu 2024-05-07

Numeric simulation of magnetic properties of molecular magnets and high-spinclusters using the Monte Carlo metropolis methode

Cel



Research objectives and content
The goal of the project is to simulate magnetic properties of complex systems like molecular based magnets or high-spin clusters by Monte Carlo Calculation. In a first place the simulation will concern magnetic clusters and 2D or 3D compounds based on spins S=2 or 5/2.A considerable ammount of this type of compounds are known in the litterature and some of them have been prepared in our laboratory. For these systems we propose to use classical Monte Carlo calculations to derive the amplitude of interaction between the magnetic centers. Secondly, systems containing spins S=1/2,1 and 3/2 will be studied. In this case the spins have to be treated as quantum spin. Here we propose to use Quantum Monte Carlo method to elucidate the magnetic properties of these systems.
Training content (objective, benefit and expected impact)
The knowledge of Monte Carlo methods to simulate physical properties will be complementary to my formation in theoritical chemistry during my Ph D thesis. This method of calculation will allow me to interpret the physical properties of extended network and high nuclearity clusters synthesized in the Inorganic Chemistry Department of University of Valencia.

Dziedzina nauki (EuroSciVoc)

Program(-y)

Temat(-y)

Zaproszenie do składania wniosków

Brak dostępnych danych

System finansowania

RGI - Research grants (individual fellowships)

Koordynator

UNIVERSITE DE PARIS-SUD XI
Wkład UE
Brak danych
Adres
Université de Paris-Sud
91405 GOMETZ LA VILLE
Francja
Koszt całkowity
Brak danych

Uczestnicy (1)