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Head of the Laboratory

Professor Dr. Anela Ivanova

Tel: +3592-8161520; Fax: +3592-9625438

E-mail: aivanova@chem.uni-sofia.bg

 

Group members

Professor Dr. Alia Tadjer

tadjer@chem.uni-sofia.bg

Associate Professor Dr. Galia Madjarova

gmadjarova@chem.uni-sofia.bg

Assistant Professor Dr. Jasmina Petkova

jasmina.petrova@chem.uni-sofia.bg

Post-doc Dr. Kai S. Exner

kexner@chem.uni-sofia.bg

PhD student Gergana Gocheva

fhgg@chem.uni-sofia.bg

Professor Dr. Sci. Nikolai Tyutyulkov

 

Research collaborations

  • Prof. Dr. Martin Baumgarten, Max Planck Institute for Polymer Research, Mainz, Germany
  • Prof. Jane Bogdanov, Sts. Cyril and Methodius University, Skopje, Macedonia
  • Prof. Driss Cherqaoui, Université Cadi Ayyad, Marrakech, Morocco
  • Prof. Nikolai Denkov, Prof. Slavka Tcholakova, Department of Chemical and Pharmaceutical Engineering, Faculty of Chemistry and Pharmacy, Sofia University, Bulgaria
  • Assist. Prof. Nikoleta Ivanova, University of Chemical Technology and Metallurgy, Sofia, Bulgaria
  • Assis. Prof. Yu-ichiro Matsushita, University of Tokyo, Japan
  • Prof. Kalina Peneva, Friedrich Schiller University Jena, Germany
  • Prof. Radostina Stoyanova, Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Bulgaria
  • Assoc. Prof. Jivko Velkov, University of Blagoevgrad, Bulgaria

Research interests

  • atomistic molecular dynamics simulations of drug-peptide complexes as components of targeted drug delivery systems for more efficient chemotherapy;
  • modelling of conducting polymers: spatial and electronic structure of oligomers aimed at characterizing the different spin states as a function of the degree of oxidation and protonation;
  • theoretical study of the reactions of co-intercalation of mono- and divalent alkaline and alkaline earth ions as model systems for rechargeable batteries;
  • design of new dyes for OLEDs;
  • modelling of bioactive agents: antioxidants

Current research projects

 

Teaching activity

The Laboratory members are actively involved in teaching. They have developed and teach a number of courses in the area of theoretical chemistry and molecular modelling at the Faculty of Chemistry and Pharmacy. LQCC is also responsible for the administration of the M. Sc. Programme Computational Chemistry. Many B. Sc. and M. Sc. research studens have worked in LQCC and some of them have also become PhD students in Theoretical Chemistry. The Laboratory is engaged in the education of students from all academic levels.

 

B. Sc. courses

Lectures and seminars in all B. Sc. majors of the Faculty of Chemistry and Pharmacy

  • Structure of Matter, second year, core
  • Theoretical Chemistry, second year, core
  • Quantum Chemistry and Chemical Bonding, second year, core
  • Molecular Design, second to fourth year, elective
  • Basic Quantum Chemistry, second to fourth year, elective
  • Application of Statistical Analysis to Molecular Modelling, third year, core
  • Quantum Chemistry and Molecular Mechanics, fourth year, core
  • Molecular Modelling of Functional Materials, fourth year, core (Engineering Chemistry major)

B. Sc. diploma theses supervision

 

M. Sc. courses

M. Sc. Programme Computational Chemistry

  • Advanced Quantum Chemistry, first year, core
  • Molecular Mechanics, first year, core
  • Term project, first year, core
  • Applied Computational Chemistry, first year, core
  • Molecular Dynamics and Monte Carlo Simulations, first year, core
  • Analysis, summary, and presentation of theoretical studies, second year, core

M. Sc. diploma theses supervision

 

M. Sc. Programme Pharmacy

  • Part of the course Physical and Colloid Chemistry 1, second year, core
  • Molecular Modelling of Pharmacophores, fourth or fifth year, elective

 

PhD Programme Theoretical Chemistry

 

Projects in Computational Chemistry

 

Former PhD and research students

PhD students (overall period of Lab membership):

Nikoleta Ivanova (2014 to 2017), Yana Tsoneva (2009 to 2016), Tsvetan Zahariev (2008 to 2015), Jasmina Petrova (since 2004), Maria Velinova (2004 to 2012), Julia Romanova (2001 to 2010), Stanislav Tsevtanov (1992 to 1994, 2005 to 2010), Nedko Drebov (2002 to 2007), Filip Fratev (2003 to 2007), Anela Ivanova (since 1996), Galia Madjarova (since 1992)

Research and diploma students:

Adriana Stoyanova, Dobromir Kalchevsky, Rosen Monov, Desislava Petkova, Georgi Stoychev, Nina Ilkova, Georgi Valchanov, Deyan Raychev, Petya Georgieva, Alexander Mehandjijski, Silvya Ninova, Tsveta Miteva; Stella Gencheva, Philip Shushkov; Tsanka Todorova; Hristina Zhekova; Yasen Velkov; Vihar Georgiev; Martin Gotsev; Spas Stoychev; Denitsa Alamanova; Polina Velichkova; Ivaylo Minkov, Tanya Todorova, Alexander Staykov, Alexandrina Stoyanova, Margarita Staneva, Jordan Hristov, Krum Chouchev, Dessislava Ganeva, Tatyana Grozeva, Iliana Schilke.