Parametric Sensitivity Analysis for Stochastic Molecular Systems using Information Theoretic Metrics. - Anastasios Tsourtis; Yannis Pantazis; Markos A. Katsoulakis; Vagelis Harmandaris (CoRR, 2014)

Path-space variational inference for non-equilibrium coarse-grained systems. - Vagelis Harmandaris; Evangelia Kalligiannaki; Markos A. Katsoulakis; Petr Plechác (J. Comput. Phys., 2016)

Parameterization of Coarse-Grained Molecular Interactions through Potential of Mean Force Calculations and Cluster Expansion Techniques. - Anastasios Tsourtis; Vagelis Harmandaris; Dimitrios K. Tsagkarogiannis (Entropy, 2017)

Computational Design of Complex Materials Using Information Theory: From Physics- to Data-driven Multi-scale Molecular Models. - Vagelis Harmandaris; Evangelia Kalligiannaki; Markos A. Katsoulakis (ERCIM News, 2018)

Bottom-Up Transient Time Models in Coarse-Graining Molecular Systems. - Georgia Baxevani; Vagelis Harmandaris; Evangelia Kalligiannaki; Ivi Tsantili (Multiscale Model. Simul., 2023)

Reconstructing the Magnetic Field in an Arbitrary Domain via Data-driven Bayesian Methods and Numerical Simulations. - Georgios E. Pavlou; Vasiliki Pavlidou; Vagelis Harmandaris (CoRR, 2024)

Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. - Eleftherios Christofi; Petra Bacová; Vagelis Harmandaris (J. Chem. Inf. Model., 2024)

Correction to "Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers". - Eleftherios Christofi; Petra Bacová; Vagelis Harmandaris (J. Chem. Inf. Model., 2024)