132 citations
- University of CreteGR52 papers
- Foundation for Research and Technology HellasGR31 papers
- National Technical University of AthensGR16 papers
- National and Kapodistrian University of AthensGR15 papers
- University of MessinaIT10 papers
- Centre National de la Recherche ScientifiqueFR7 papers
- Polytechnic University of BariIT7 papers
- University of SussexGB7 papers
- King Abdullah University of Science and TechnologySA6 papers
- FORTH Institute of Electronic Structure and LaserGR5 papers
- Suzhou Institute of Nano-tech and Nano-bionicsCN5 papers
- Chinese Academy of SciencesCN4 papers
Showing 2015 · math.NAShow all
3 papers · 2 filters
math.NA2015★ 45 cited
Path-space variational inference for non-equilibrium coarse-grained systems
Vagelis Harmandaris, Evangelia Kalligiannaki, Markos A. Katsoulakis +1
In this paper, we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular dynamics. The latte…
math.NA2015★ 1 cited
Notes on Galerkin-finite element methods for the Shallow Water equations with characteristic boundary conditions
D. C. Antonopoulos, V. A. Dougalis
We consider the Shallow Water equations in the supercritical and subcritical cases in one space variable,posed in a finite spatial interval with characteristic boundary conditions…
math.NA2015★ 2 cited
The geometry of generalized force matching in coarse-graining and related information metrics
Evangelia Kalligiannaki, Vagelis Harmandaris, Markos A. Katsoulakis +1
Using the probabilistic language of conditional expectations we reformulate the force matching method for coarse-graining of molecular systems as a projection on spaces of coarse o…