Nicolae Atodiresei

Dr. Nicolae Atodiresei

Scientific Staff at Peter Grünberg Institute (PGI-1) and Institute for Advanced Simulation (IAS-1)


density functional theory, magnetism, molecular nanostructures, hybrid interfaces, molecular electronics, spintronics, two-dimensional materials, van der Waals


Forschungszentrum Jülich GmbH
52428 Jülich

Peter Grünberg Institut (PGI)

Quanten-Theorie der Materialien (PGI-1/IAS-1)

Gebäude 04.12 / Raum R 120

Research Activity Overview

My scientific experience lies at the interface between fundamental chemistry and physics. While my Diploma thesis was devoted to synthetic organic and analytical chemistry, my Master thesis was a combined experimental and first principles theoretical study of the photoelectron spectra of organic molecules (Faculty of Chemistry, Al. I. Cuza University, Romania). Simultaneously, I attended the courses of the Technological Biochemistry Faculty for 4 semesters. I completed my doctoral studies at the Institute of Solid State Research (Forschungszentrum Jülich, Germany) and got my magna cum laude doctorate degree from RWTH Aachen University (Germany). During that period I worked on the projector augmented plane wave method (PAW) code development and performed theoretical simulations of organic molecules with biological significance adsorbed on metal surfaces. My current research activity focuses on the theoretical study of molecular nanostructures, hybrid organic-metal interfaces and two-dimensional materials including also the simulation of atomic force microscopy, scanning tunneling microscopy experiments and molecular-scale planar devices.

As of 27.06.2023 I published 92 refereed papers in international journals that have been cited over 3400 times (Scopus H-index: 29).

Letzte Änderung: 12.10.2023