Research
Fields of Scientific Interests:
Quantum Theory of Molecules: advances in quantum mechanical methods of molecules; new developments in electron density matrix theory; multi-scale approach in modeling of complex physical phenomena.
The problems of interest: additivity and transferability of physical properties of molecules; common properties of density distribution for selected classes of chemical compounds; new materials and methods for designing molecular devises.
The most important scientific achievements
The approach based on the perturbation theory for one electron density matrix in frame of effective Hamiltonian, allowing to generalize the quantum mechanical problem for certain classes of compounds have been proposed. The obtained results allowed to substantiate the intuition – based chemical hypothesis and concepts of the classical chemistry (the short – range nature of inductive effect as being due to weak inter-bond delocalization in alkanes, additivity of the heteroatom influence and a large extent of additivity of intra-molecular interactions etc.) and gave the possibility to formulate the quantum mechanical analogues. The mentioned approach was applied for quantum mechanical justification of additivity rule for conformational energies. On this basis the practically useful tool for prediction the conformational properties of large compounds have been worked out. The latest results obtained using it show the new trends for using large saturated molecules in molecular devices.
Publications
The total number of scientific publications exceeds 130
The most important articles
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D. Shatkovskaya, V. Gineityte. Transferability of the electronic structure characteristics of saturated molecules. Int. J. of Quant. Chem., vol.39, No.1, 11-17 ,1991 .
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D. Šatkovskienė, V. Gineityte, The electron density distribution in tetrahedral systems and basic principles of organic chemistry, J. Mol. Struct. (TEOCHEM), vol. 311, p. 137 - 140.1994.
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D. Šatkovskienė, V. Gineityte, The application of the density matrix method for the investigation of the trans -effect in -- electron systems, Int. J. Quant. Chem., vol. 58, 453 - 459 (1996).
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D. Šatkovskienė. Theoretical Justification of Empirical Additivity Schemes for Conformational Energies. Int. J. Quant. Chem., vol. 91, 2003, 5-12.
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R. Jankauskas, P. Pipiraitė, D. Šatkovskienė. Additivity of conformational energy: Quantum mechanical investigation of fluoro- and bromoalkanes. Lithuanian Journal of Physics, vol. 47, 2, p.143-150, 2007.
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D. Šatkovskienė, R. Jankauskas, P. Pipiraitė and J. Šulskus Quantum Mechanical Study of Additivity of Conformational Energy in Chloroalkanes. Journal of Mol. Structure (TEOCHEM), 816, 43-51, 2007.
Textbooks
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D. Šatkovskaja. Teorinės mechanikos uždavinynas fizikos specialybės studentams, Vilniaus universiteto leidykla, 1993.
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D.Šatkovskienė Teorinė Mechanika, Vilniaus universiteto leidykla, 2003,200psl., ISBN 9986-19-549-7
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D.Šatkovskienė Grupių Teorija, Vilniaus universiteto leidykla, 2004, 176psl., ISBN 9986-19-549-7. Rekomendavo spaudai Aukštųjų mokyklė bendrųjų vadovėlių leidybos komisija(200.06.29 Nr.O5A-45)
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Dalia Šatkovskienė. Tankio matricos metodas kvantinėje mechanikoje. VU vadovėlis.Išleido UAB „Biznio mašinų kompanija“ ISBN 978-9955-888-02-4, Vilnius, 2008
Other activities
Membership in Professional Organizations
1988 -2009- member of the World Association of Theoretically Oriented Chemists (WATOC);
Since 2003-Member of Lithuanian and European Physical Societies;
Since 2008 member of American Physical Society‘s Forum of International Physics (APS FIP)
Since 2007 member of Administrative Board of European Platform of Women Scientists (EPWS) (http://www.epws.org/) and its Policy debate Committee.
2008 established Baltic States Association BASNET Forumas and is elected President of it (http://www.basnetforumas.eu/).
Since 2018-is representing Vilnius University in the European Physicists network GENERA
Participation in international and national projects
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Initiated and Coordinated FP6 BASNET project (Contract No 017170, 2006-2008)
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Coordinated FP7 project “Structural Change Promoting Gender Equality in Research organizations “(SAPGERIC, Contract Nr. GA 620745, http://www.sapgeric.eu2013.vu.lt/, 2013-2014);
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Coordinated EEA and Norway financial mechanisms funds project „Gender Equality Implementation in Research Institutions: Collaborative Approach” (GEIRICA,2013-2015)
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Participated in FP7 TENDER “META-ANALYSIS OF GENDER AND SCIENCE RESEARCH” (coordinator "FUNDACIÓ CIREM", Spain).
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Participated in the projects coordinated by Vilnius University and financed by European Structural Funds: BPD2004-ESF-2.4.0-03- 05/0051 and BPD2004-ESF-2.5.0-03-05/0012
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Initiated and participated implementing national LYMOS project (VP1-3.2-ŠMM-02-V-02-001) coordinated by Lithuanian Academy of Sciences (2011-2013)
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Participated as Advisory Board member in FP7 TRIGGER, EGERA and Horizon 2020 Baltic Gender projects and 2023 in Study on Gender Balance in the R&I Field to Improve the Role of Women in the Energy Transition project, financed by CINEA. Participated as observer in Horizon 2020 GENERA project
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Participated in COST programme project genderSTE as MC member (2012-2016)
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Recently is MC member, Grant Coordinator and MC Core Group member of COST Action “Making Early Career Researchers' Voices Heard for Gender Equality (VOICES)” (2021-2025).
Expertise in Evaluation of Scientific projects
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Since 2004 - expert - evaluator of EC FP6, FP7 and Horizon 2020 programmes in the fields of physics and chemistry;
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Since 2007 -Independent Observer for EC FP7 programme;
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Expert –evaluator for EUREKA and COST programmes;
Have been Expert –evaluator of MITA coordinated programmes and Referee for Lithuanian Journal of Physics;
Participation in International Conferences
Participated and presented scientific results in numerous of International conferences and congresses such as: WATOC'87 (1987, Budapest, Hungary), WATOC'90 (1990, Toronto, Canada), WATOC'93 (1993, Toyohashi, Japan), WATOC'96 (1996, Jerusalem, Israel), WATOC'02 (2002,Lugano, Switzerland), 29th Sanibel Symposia (1989, St. Augustine, Fl., U.S.A.),19th European Congress on Molecular Spectroscopy (Dresden, Germany), 8th ICQC (1994, Prague),11th ICQC (2003,Bonn, Germany), March Meeting of American Physical Society (2008, New Orleans), 13th ICQC (2009,Helsinki, Finland), ICWIP‘2002 (Paris, France), ICWIP‘2005 (Rio de Janeiro, Brazil), ICWIP‘2008 (Seoul, Sought Korea), 13th ICOQ (2009 Helsinki, Finland), ICAMDATA‘2010 (Vilnius), ICWIP‘2011 (Cape Town, South Africa), ICWIP’2017 (Birmingham, UK). ICWIP’2021 and many others.
Experience in organization international Conferences
- Organized international annual EPWS conference in Vilnius (5-7 of June, 2008)
- Invited member of Scientific Organizing committee of the International conference „Beyond the leaky pipeline: Challenges for research on gender and science, 19-20th October 2010, Brussels, Belgium http://www.genderandscience.org/doc/provisional_programme.pdf
- Initiated and co-organized the international conference „Challenges for science in the context of Globalization“ (30 of September 2010, Vilnius)
- Organized EPWS lunch event- debates in European Parliament (31 of January 2012, Brussels, Belgium);
- Initiated an co-organized international conference dedicated to the 100 anniversary of the second M. Curie Nobel Price (24-25 of November 2011, Vilnius);
- Organized high level LT presidency event –international Conference „Structural Change Promoting Gender Equality in Research Organizations“(21-22 of November 2013, Vilnius) and others. 010-09-30
- EPWS Conference in EP “From Resolution to Realization: The Impact of the EP Resolution on Women’s Careers in Science and Universities of 09.09.2015” held in Brussels 6 of September 2017
- Initiated and organized high level international Conference "Accelerating Era Development by promotion of gender equality in STEM research" (20-21 of November 2017, Vilnius (http://www.acceleratingera.vu.lt/)
- Organized International Conference “The situation of young researchers in the Baltic States: development or waste of future scientific potential?”, LR Seimas, 23 of November 2023
About myself
Academic Background
1970- Graduated from Department of Elementary Particle Physics of M. V. Lomonosov Moscow State University
1970-1972 –PHD student at the Department of Elementary Particles of M. V. Lomonosov Moscow State University (Scientific Advisor. Prof. Bruno Pontecorvo).
1986 -Conferred the doctor degree in physics and mathematics. Title of Thesis: “The investigation of dependency of electron density distribution regularities on Hamiltonian structure of saturated molecules using the perturbation theory “.
1994 -The title of Associated Professor was granted by Vilnius University.
Permanent positions
Since 1973 - Position of Researcher at Theoretical Physics Department of Vilnius University
1976- Senior Researcher at Theoretical Physics Department of Vilnius University
1994- Associated Professor at Theoretical Physics Department of Vilnius University, leader of the scientific group.
Pedagogical Activity
Prepared and deliver general and special courses for students chemists and physicists on the following topics: Quantum Chemistry of Solid State, Analytical Mechanics, Theory of groups, Theory of Graphs, Theory of Molecules, Theory of Intermolecular Interactions, Density Matrix Method in Quantum Mechanics, course for doctoral students „Selected Chapters of Molecule theory“ etc.
Published textbooks
„Teorinės mechanikos uždavinynas fizikos specialybės studentams “(VU leidykla, 1993)
Grupių teorija (ISBN 9986-19-629-9, 2004)
Teorinė mechanika (ISBN 9986-19-549-7, 2003)
Tankio matricos metodas kvantinėje mechanikoje “(ISBN 978-9955-888-02-4, Vilnius, 2008).
Has been the scientific advisor of numerous of graduation and master’s degree thesis as well as led the committee for doctoral studies of R. Jankauskas.
Grants and Awards
1990- Grant from Open Society Fund Lithuania;
1993 -Award from American Physical Society – International Science foundation (APS-ISF);
1993 -Grant from International Science Foundation;
1998- Grant from Lithuanian Science Foundation;
2001- Grant from Ettore Majorana Foundation;
2002- Grant from Switzerland Academy of Sciences;
2003- Grant from Deutsche Forschungsgemeinschaft;
2003- IUPAP travel Grant;
2005- Travel Grant from EC FP6 Science Directorate;
2005- Award of Lithuanian Science and Education Ministry
2006- Was nominated by Lithuanian Academy of Sciences for L’Oreal- UNESCO Award for Women in Sciences for Europe;
2008- American Physical Society Marshak award;
2013- President of the Republic of Lithuania H.E. Dalia Grybauskaitė awarded her by commemorative badge as an acknowledgement of personal input during the Lithuanian Presidency.
2014 -She was awarded by the Baltic Parliamentary Assembly Medal for promotion of the unity and cooperation among the three Baltic nations.re Majorana Foundation;
Dr. Dalia Šatkovskienė