A variety of methods are developed for characterising the free energy landscapes of continuum, Landau-type free energy models. Using morphologies of lipid vesicles and a multistable liquid crystal device as examples, I show that the methods allow systematic study of not only the most relevant minimum energy configurations, but also the transition pathways between any two minima, as well as their corresponding energy barriers and transition state configurations. A global view of the free energy landscapes can then be visualized using either a disconnectivity graph or a network representation. Different forms of free energy functionals and boundary conditions can be readily implemented, thus allowing these tools to be utilised for a broad ran...
We propose a network-based method for determining basins and barriers of complex free energy surface...
Recent advances in the potential energy landscapes approach are highlighted, including both theoreti...
The free energy landscape of a protein-like chain is constructed from exhaustive simulation studies ...
The planar bistable device [Tsakonas et al., Appl. Phys. Lett., 2007, 90, 111913] is known to have t...
We review a comprehensive computational framework to survey the potential energy landscape for syste...
AbstractProteins have a complex free-energy landscape because of their rich topology and the nature ...
In the free-energy landscape picture of glassy systems, their slow dynamics is due to a complicated ...
Computer simulations play an important role in the study of transformation processes of condensed ma...
International audienceComputer simulations play an important role in the study of transformation pro...
Free energy is the driving force behind countless processes ranging from the biological to the indus...
The topography of the free energy landscape in phase space of a dense hard-sphere system characteriz...
Energy landscapes analysis is a versatile approach to study multistable systems by identifying the n...
Properties of the free-energy landscape in phase space of a dense hard-sphere system characterized b...
Recently, we have introduced a new method, metadynamics, which is able to sample rarely occurring tr...
Properties of the free energy landscape in phase space of a dense hard sphere system characterized b...
We propose a network-based method for determining basins and barriers of complex free energy surface...
Recent advances in the potential energy landscapes approach are highlighted, including both theoreti...
The free energy landscape of a protein-like chain is constructed from exhaustive simulation studies ...
The planar bistable device [Tsakonas et al., Appl. Phys. Lett., 2007, 90, 111913] is known to have t...
We review a comprehensive computational framework to survey the potential energy landscape for syste...
AbstractProteins have a complex free-energy landscape because of their rich topology and the nature ...
In the free-energy landscape picture of glassy systems, their slow dynamics is due to a complicated ...
Computer simulations play an important role in the study of transformation processes of condensed ma...
International audienceComputer simulations play an important role in the study of transformation pro...
Free energy is the driving force behind countless processes ranging from the biological to the indus...
The topography of the free energy landscape in phase space of a dense hard-sphere system characteriz...
Energy landscapes analysis is a versatile approach to study multistable systems by identifying the n...
Properties of the free-energy landscape in phase space of a dense hard-sphere system characterized b...
Recently, we have introduced a new method, metadynamics, which is able to sample rarely occurring tr...
Properties of the free energy landscape in phase space of a dense hard sphere system characterized b...
We propose a network-based method for determining basins and barriers of complex free energy surface...
Recent advances in the potential energy landscapes approach are highlighted, including both theoreti...
The free energy landscape of a protein-like chain is constructed from exhaustive simulation studies ...