Dr. Daria M. Tomecka

  • High-Throughput ab-initio electronic structure calculation software development;
  • Compound semiconductors and their electronic properties →method: HT-DFT;
  • Molecular Magnets; determination of the magnetic and electronic properties of model molecular magnets based on the molecules containing chromium ions; →method: ab-initio electronic structure calculation (Density Functional Theory);
  • 2D Coulomb Clusters, their structural and dynamic properties, in particular, the relation between magic configurations, local and radial melting of subshells and intershell rotation, the configurations in the ground and meta-stable states for various charges, as well as the new melting scenarios; →methods: Molecular Dynamics and Monte Carlo;
  • Critical properties of Ising model in the generalized mean-field approximation; →methods: transfer matrix and renormalization group.



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A1 Publications

Non CMM publications (A1)

Anisotropy, geometric structure and frustration effects in molecule-based nanomagnets , G. Kamieniarz, P. Kozlowski, M. Antkowiak, P. Sobczak, T. Slusarski, D.M. Tomecka, A. Barasinski, B. Brzostowski, A. Drzewinski, A. Bienko, J. Mrozinski , Acta Physica Polonica A , 121, 5-6, 992-998 , 2011
Electronic structure and magnetic properties of a molecular octanuclear chromium-based ring , T. Slusarski, B. Brzostowski, D.M. Tomecka, G. Kamieniarz , JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY , 11, 10 , 2011
Application of the package SIESTA to linear models of a molecular chromium-based ring , T. Slusarski, B. Brzostowski, D.M. Tomecka, G. Kamieniarz , Acta Physica Polonica A , 118, 5 , 2010
Ground state configurations and melting of two-dimensional non-uniformly charged classical clusters , D.M. Tomecka, G. Kamieniarz, B. Partoens, F.M. Peeters , Journal of Physics: Condensed Matter , 21, 15, 155301 , 2009
Ground state configurations and melting of two-dimensional non-uniformly charged classical clusters , D.M. Tomecka, G. Kamieniarz, B. Partoens, F.M. Peeters , Journal of Physics: Condensed Matter , 21, 15, 155301 , 2009
Ab initio study on a chain model of the Cr8 molecular magnet , D.M. Tomecka, V. Bellini, F. Troiani, F. Manghi, G. Kamieniarz, M. Affronte , Physical Review B , 77, 224401 , 2008
Transfer-matrix study of critical properties of the Ising model following from the three-cluster MFRG approach , G. Kamieniarz, D.M. Tomecka , Physica Status Solidi (b) - Basic Solid State Physics , 243, 1, 322-325 , 2006
Multistep radial melting in small two-dimensional classical clusters , D.M. Tomecka, B. Partoens, F.M. Peeters , Physical Review E , 71, 4, 062401 , 2005 , 2.418
Two-step mean-field renormalization group results for the large square Ising clusters , G. Kamieniarz, G. Musial, D.M. Tomecka , Physica Status Solidi (b) - Basic Solid State Physics , 236 , 2003

Other Publications

A2 publications

2009

Multi-aspect modelling and quantum effects in molecular nanomagnets , G. Kamieniarz, M. Antkowiak, P. Sobczak, T. Slusarski, D.M. Tomecka, P. Kozlowski, A. Barasinski, A. Drzewinski, J. Klak, A. Bienko, J. Mrozinski, V. Bellini, F. Troiani, F. Manghi, M. Affronte, A. Olivieri, F. Tuna, G.A. Timco, R.E.P. Winpenny , ACTA PHYSICAE SUPERFICIERUM , 11 , 2009
Multi-aspect modelling and quantum effects in molecular nanomagnets , D.M. Tomecka , ACTA PHYSICAE SUPERFICIERUM , 11 , 2009

2008

A Chain Model Approach To The Chromium-Based Molecular Rings , D.M. Tomecka, V. Bellini, F. Troiani, F. Manghi, G. Kamieniarz , Lecture Notes in Computer Science , 6127 , 2008

Keynote / Plenary / Invited talks

Talks

2012

Pragmatic band gap calculations as a 'sieve' for experimental tabulations , D.M. Tomecka, S. Cottenier, V. Van Speybroeck, M. Waroquier , 17th ETSF Workshop on Electronic Excitations , Coimbra, Portugal , Tue, 02/10/2012 to Fri, 05/10/2012

Posters

2012

Pragmatic band gap calculations as a sieve for experimental tabulations , D.M. Tomecka, M. Waroquier, V. Van Speybroeck, S. Cottenier , 19th wien2k Workshop , Waseda University, Tokyo, Japan , Mon, 03/09/2012 to Fri, 07/09/2012

Funding