Vagelis Harmandaris

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Active Learning of Atomic Size Gas/Solid Potential Energy Surfaces via Physics Aware Models.
J. Chem. Inf. Model.
Nikolaos Patsalidis, Mohsen Doust Mohammadi, Somnath Bhowmick, George Biskos, Vagelis Harmandaris
2025 J jnl
Reconstructing the Magnetic Field in an Arbitrary Domain via Data-Driven Bayesian Methods and Numerical Simulations.
Comput.
Georgios E. Pavlou, Vasiliki Pavlidou, Vagelis Harmandaris
2024 J jnl
Correction to "Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers".
J. Chem. Inf. Model.
Eleftherios Christofi, Petra Bacová, Vagelis Harmandaris
2024 J jnl
Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers.
J. Chem. Inf. Model.
Eleftherios Christofi, Petra Bacová, Vagelis Harmandaris
2024 J jnl
Reconstructing the Magnetic Field in an Arbitrary Domain via Data-driven Bayesian Methods and Numerical Simulations.
CoRR
Georgios E. Pavlou, Vasiliki Pavlidou, Vagelis Harmandaris
2023 J jnl
Bottom-Up Transient Time Models in Coarse-Graining Molecular Systems.
Multiscale Model. Simul.
Georgia Baxevani, Vagelis Harmandaris, Evangelia Kalligiannaki, Ivi Tsantili
2023 J jnl
Bottom-up transient time models in coarse-graining molecular systems.
CoRR
Georgia Baxevani, Vagelis Harmandaris, Evangelia Kalligiannaki, Ivi Tsantili
2018 J jnl
Computational Design of Complex Materials Using Information Theory: From Physics- to Data-driven Multi-scale Molecular Models.
ERCIM News
Vagelis Harmandaris, Evangelia Kalligiannaki, Markos A. Katsoulakis
2017 J jnl
Parameterization of Coarse-Grained Molecular Interactions through Potential of Mean Force Calculations and Cluster Expansion Techniques.
Entropy
Anastasios Tsourtis, Vagelis Harmandaris, Dimitrios K. Tsagkarogiannis
2016 J jnl
Path-space variational inference for non-equilibrium coarse-grained systems.
J. Comput. Phys.
Vagelis Harmandaris, Evangelia Kalligiannaki, Markos A. Katsoulakis, Petr Plechác
2014 J jnl
Parametric Sensitivity Analysis for Stochastic Molecular Systems using Information Theoretic Metrics.
CoRR
Anastasios Tsourtis, Yannis Pantazis, Markos A. Katsoulakis, Vagelis Harmandaris