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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. Galia Madjarova


Assistant Professor Dr. Jasmina Petkova


Assistant Professor Dr. Hristo Rasheev


Professor Dr. Alia Tadjer


Joanna Stoycheva, PhD Student


Stoyan Iliev, PhD Student


Lyuben Borislavov, MSc

Ilia Kichev, MSc Student


Simona Djumayska, MSc Student


Chara Borislavova, MSc Student


Yanislav Danchovski, MSc Student

Daniel Dinev, BSc Student


Professor Dr. Sci. Nikolai Tyutyulkov


Research collaboration

  • 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
  • Assis. Prof. Yu-ichiro Matsushita, University of Tokyo, Japan
  • Assoc. Prof. Zhivko Velkov, South-West University, Blagoevgrad, Bulgaria
  • Acad. Prof. Nikolai Denkov, Department of Chemical and Pharmaceutical Engineering, Faculty of Chemistry and Pharmacy, Sofia University, Bulgaria
  • Assoc. Prof. Yualian Zagranyarski, Department of Organic chemistry, Sofia University, Bulgaria
  • Assoc. Prof. Stanislav Stanimirov, Department of Organic chemistry, Sofia University, Bulgaria
  • Assoc. Prof. Stanimir Stoyanov, Department of Organic chemistry, Sofia University, Bulgaria
  • Prof. Radostina Stoyanova, Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Bulgaria
  • Prof. Dr. Slavka Tcholakova, Department of Chemical and Pharmaceutical Engineering, Sofia University, Bulgaria


Research interests

  • atomistic molecular dynamic simulations of directed drug delivery systems for more efficient cancer therapy;
  • 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 structures with large magneto-crystalline anisotropy as candidates for new hard magnets free of rare earth elements;
  • modelling of bioactive agents: antioxidants;
  • theoretical description of the structure and physicochemical properties of supramolecular aggregates of amphiphilic compounds in bulk and at interfaces.


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.


Bachelor Courses

Lectures and seminars in all BSc majors

  • 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)

Supervision of BSc diploma theses is offered.


MSc courses

MSc 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

Supervision of MSc diploma theses is offered.


MSc Programme Pharmacy

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

Student research project supervision is offered.


PhD Programme Theoretical Chemistry

All habilitated members in the Laboratory engage as supervisors of PhD students in the field of theoretical and computational chemistry. PhD applicants from the EU should pass an admission exam either in December or in June.

Post-doctoral students and self-funded PhD students are also supervised after preliminary selection.


Post Docs

Dr. Kai S. Exner – Feodor Lynen Fellow of the Alexander von Humboldt Foundation (2017-2020)


Graduate students

PhDs (total period in the Laboratory):

Hristo Rasheev (since 2014), Gergana Gocheva (2012 to 2020), 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:

Daniel Dinev, Veronica Petkova, Gergana Radulova, Alexandra Kapoyani, Chara Borislavova, Ilia Kichev, Simona Djumayska, Yansilav Danchovski, Luben Borislavov, Ethan Schaber, Ivan Miyakov, Nikolay Petkov, Yanislav Danchovski, Neda Todorova, Georgia Ivanova, Nadejda Bozova, Antoniya Trencheva, Andrea Garcia Luri, 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.