Vagelis Harmandaris

Data-driven uncertainty quantification for systematic coarse-grained models

Evangelia Kalligiannaki, Markos A. Katsoulakis, Tangxin Jin, 2020, 2007.00340.

Path-space variational inference for non-equilibrium coarse-grained systems

Petr Plechác, Evangelia Kalligiannaki, Markos A. Katsoulakis, 2015, J. Comput. Phys..

The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems.

Evangelia Kalligiannaki, Vagelis Harmandaris, Petr Plecháč, 2015, The Journal of chemical physics.

Information Theoretic Tools for Parameter Fitting in Coarse Grained Models

Evangelia Kalligiannaki, Markos A. Katsoulakis, Vagelis Harmandaris, 2015 .

Parameterization of Coarse-Grained Molecular Interactions through Potential of Mean Force Calculations and Cluster Expansion Techniques

Vagelis Harmandaris, Dimitrios K. Tsagkarogiannis, Anastasios Tsourtis, 2016, Entropy.

Study of the transient dynamics of coarse-grained molecular systems with the path-space force-matching method

Evangelia Kalligiannaki, Vagelis Harmandaris, Georgia Baxevani, 2019 .

Computational Design of Complex Materials Using Information Theory: From Physics- to Data-driven Multi-scale Molecular Models

Evangelia Kalligiannaki, Markos A. Katsoulakis, Vagelis Harmandaris, 2018, ERCIM News.

Computational Science by Youth: Modeling and Simulation in Science, Industry, and Society

Anna Bilyatdinova, Angelos Bilas, Alexander V. Boukhanovsky, 2018 .

Parametric Sensitivity Analysis for Stochastic Molecular Systems using Information Theoretic Metrics

Yannis Pantazis, Markos A. Katsoulakis, Vagelis Harmandaris, 2014, The Journal of chemical physics.