Evangelia Kalligiannaki worked as a Research Scientist at Professor Raul F. Tempone's Stochastic Numerics Research Group at King Abdullah University of Science and Technology (KAUST).

Research Interests

Evangelia's research interests concerned the development, analysis, and implementation of model reduction (coarse-graining) techniques for high dimensional particle systems at multiple spaces and time scales, and included studying macro-molecular and stochastic lattice systems.

She was particularly interested in the development of effective equilibrium and non-equilibrium coarse-grained models using statistical mechanics and information theory tools. Moreover, she studied the development of data-driven models for molecular systems with variational and Bayesian inference methods. She also studied Markov chain Monte Carlo numerical methods and their appropriate design using coarse-graining techniques, in order to accelerate microscopic simulations.

Selected Publications

• Parametrizing coarse-grained models for molecular systems at equilibrium, E. Kalligiannaki, A. Chazirakis, A. Tsourtis, M. Katsoulakis P. Plechac and V. Harmandaris, EPJ ST, 225(8), 1347-1372, 2016, DOI: 10.1140/epjst/e2016-60145-x.
• Path-space variational inference for non-equilibrium coarse-grained systems, V. Harmandaris, E. Kalligiannaki, M. Katsoulakis, and P. Plechac, J. Comp. Phys., 314(1), 355–383, 2016, DOI: 10.1016/j.jcp.2016.03.021.
• ​The geometry of force matching in coarse-graining and related information metrics, E. Kalligiannaki, V. Harmandaris, M. Katsoulakis, P. Plechac. J. Chem. Phys. 143, 084105, 2015.
•  Spatial multi-level interacting particle simulations and information theory-based error quantification, E. Kalligiannaki, M. Katsoulakis, P. Plechac. SIAM J. Sci. Comput. 36-2, 2014, A634-A667.
• Multilevel coarse-graining and nano-pattern discovery in many particle stochastic systems, E. Kalligiannaki, M. Katsoulakis, P. Plechac,  D. Vlachos.  J. Comp. Phys., 231(6), 2012, 2599-2620. 
• Coupled coarse-graining and Markov Chain Monte Carlo for lattice systems, E. Kalligiannaki, M. Katsoulakis, P. Plechac. “Numerical Analysis of Multiscale Computations”, Lect. Notes Comput. Sci. Eng. 82, 235-257, 2011. 
•  Conservation equations for the semiclassical Schrodinger equation near caustics, E. Kalligiannaki, G.N. Makrakis. Appl. Anal., 86(8), 917, 2007.

Education Profile

• ​Ph.D., Applied Mathematics,  University of Crete, Greece, 2007.
• M.Sc., Applied Mathematics, University of Crete, Greece, 2002.
• B.Sc., Mathematics, University of Crete, Greece, 1999.  

Awards and Distinctions

• ​Travel Award, AWM - NSF, Summer  2011.
• Travel Award, Clay Mathematics Institute, Summer 2008.
• Manassaki Scholarship, University of Crete, 2006.
• Ph.D. Scholarship  “Herakleitos”, Greek Ministry of National Education and the European Union, 2002–2006.
• Graduate Scholarship, IACM, Foundation for Re-search and Technology Hellas, 1999 - 2002.

Professional Memberships

• ​SIAM, SIAM-CSE, SIAM-UQ.