Dr. Cristian Morari

Scientific Researcher I


Department: CETATEA – Center of Advanced Research and Technology for Alternative Energies
Research Team: Quantum Engineering

Phone: (+40)264-584037, int. 195
Office: Building A, Room A3.06
E-mail: cristian.morari@itim-cj.ro

Research Interests and Expertise

  • Quantum chemistry and Nanotechnology, Solid state physics, Energy storage, Programming and Numerical modeling
  • Quantum Technologies: Molecular qubits; material design for superconducting qubits
  • Quantum chemistry and Nanotechnology: Numerical simulation of molecular properties using the standard quantum chemistry codes: vibrational spectra, computation of electronic structures and molecular geometries. Numerical simulation of structural and electronic properties for surface, molecule-surface and interface states. Electronic structure properties and transport properties for metal-molecule-metal systems (TansSIESTA, Smeagol).
  • Solid state physics: Application of the ab-initio methods to the study of electronic structures and transport properties of nanodevices. I use both plane waves (ABINIT) and localized basis sets (SIESTA) approaches.
  • Energy storage: Numerical simulation and rational design for improvements of energy storage in lead-acid batteries. Optimization of the metallic grids in lead-acid batteries to minimize the material consumption in manufacturing process. Statistical analysis of experimental data: electric impendance spectroscopy, IR data analysis. Numerical analysis of digital images.
  • Programming and Numerical modeling: Development of several codes (wavepacket dynamics, post-processing codes for SIESTA). Participation to the ABINIT project. Numerical simulation of transport processes in nanostructures.


BSc in Physics 1994 Babeș-Bolyai University, Cluj-Napoca, Romania
MSc in Physics 1998 Babeș-Bolyai University, Cluj-Napoca, Romania
PhD in Physics 2001 Theoretical Chemistry Department, University of Siegen, Germany