The Experts below are selected from a list of 360 Experts worldwide ranked by ideXlab platform

Kurt Kremer - One of the best experts on this subject based on the ideXlab platform.

  • adaptive resolution molecular dynamics simulation changing the degrees of freedom on the fly
    Journal of Chemical Physics, 2005
    Co-Authors: Matej Praprotnik, Luigi Delle Site, Kurt Kremer
    Abstract:

    We present a new adaptive resolution technique for efficient particle-based multiscale molecular-dynamics simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the rest of the system. Our method allows an on-the-fly interchange between a given molecule’s atomic and coarse-grained levels of description, enabling us to reach large length and time scales while spatially retaining atomistic details of the system. The new approach is tested on a model system of a liquid of tetrahedral molecules. The simulation box is divided into two regions: one containing only atomistically resolved tetrahedral molecules, and the other containing only one-particle coarse-grained spherical molecules. The molecules can freely move between the two regions while changing their level of resolution accordingly. The hybrid and the atomistically resolved systems have the same stat...

  • adaptive resolution molecular dynamics simulation changing the degrees of freedom on the fly
    arXiv: Soft Condensed Matter, 2005
    Co-Authors: Matej Praprotnik, Luigi Delle Site, Kurt Kremer
    Abstract:

    We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the rest of the system. Our method allows an on-the-fly interchange between a given molecule's atomic and coarse-grained level of description, enabling us to reach large length and time scales while spatially retaining atomistic details of the system. The new approach is tested on a model system of a liquid of tetrahedral molecules. The simulation box is divided into two regions: one containing only atomistically resolved tetrahedral molecules, the other containing only one particle coarse-grained spherical molecules. The molecules can freely move between the two regions while changing their level of resolution accordingly. The coarse-grained and the atomistically resolved systems have the same statistical properties at the same physical conditions.

Matej Praprotnik - One of the best experts on this subject based on the ideXlab platform.

  • adaptive resolution molecular dynamics simulation changing the degrees of freedom on the fly
    Journal of Chemical Physics, 2005
    Co-Authors: Matej Praprotnik, Luigi Delle Site, Kurt Kremer
    Abstract:

    We present a new adaptive resolution technique for efficient particle-based multiscale molecular-dynamics simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the rest of the system. Our method allows an on-the-fly interchange between a given molecule’s atomic and coarse-grained levels of description, enabling us to reach large length and time scales while spatially retaining atomistic details of the system. The new approach is tested on a model system of a liquid of tetrahedral molecules. The simulation box is divided into two regions: one containing only atomistically resolved tetrahedral molecules, and the other containing only one-particle coarse-grained spherical molecules. The molecules can freely move between the two regions while changing their level of resolution accordingly. The hybrid and the atomistically resolved systems have the same stat...

  • adaptive resolution molecular dynamics simulation changing the degrees of freedom on the fly
    arXiv: Soft Condensed Matter, 2005
    Co-Authors: Matej Praprotnik, Luigi Delle Site, Kurt Kremer
    Abstract:

    We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the rest of the system. Our method allows an on-the-fly interchange between a given molecule's atomic and coarse-grained level of description, enabling us to reach large length and time scales while spatially retaining atomistic details of the system. The new approach is tested on a model system of a liquid of tetrahedral molecules. The simulation box is divided into two regions: one containing only atomistically resolved tetrahedral molecules, the other containing only one particle coarse-grained spherical molecules. The molecules can freely move between the two regions while changing their level of resolution accordingly. The coarse-grained and the atomistically resolved systems have the same statistical properties at the same physical conditions.

Luigi Delle Site - One of the best experts on this subject based on the ideXlab platform.

  • adaptive resolution molecular dynamics simulation changing the degrees of freedom on the fly
    Journal of Chemical Physics, 2005
    Co-Authors: Matej Praprotnik, Luigi Delle Site, Kurt Kremer
    Abstract:

    We present a new adaptive resolution technique for efficient particle-based multiscale molecular-dynamics simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the rest of the system. Our method allows an on-the-fly interchange between a given molecule’s atomic and coarse-grained levels of description, enabling us to reach large length and time scales while spatially retaining atomistic details of the system. The new approach is tested on a model system of a liquid of tetrahedral molecules. The simulation box is divided into two regions: one containing only atomistically resolved tetrahedral molecules, and the other containing only one-particle coarse-grained spherical molecules. The molecules can freely move between the two regions while changing their level of resolution accordingly. The hybrid and the atomistically resolved systems have the same stat...

  • adaptive resolution molecular dynamics simulation changing the degrees of freedom on the fly
    arXiv: Soft Condensed Matter, 2005
    Co-Authors: Matej Praprotnik, Luigi Delle Site, Kurt Kremer
    Abstract:

    We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the rest of the system. Our method allows an on-the-fly interchange between a given molecule's atomic and coarse-grained level of description, enabling us to reach large length and time scales while spatially retaining atomistic details of the system. The new approach is tested on a model system of a liquid of tetrahedral molecules. The simulation box is divided into two regions: one containing only atomistically resolved tetrahedral molecules, the other containing only one particle coarse-grained spherical molecules. The molecules can freely move between the two regions while changing their level of resolution accordingly. The coarse-grained and the atomistically resolved systems have the same statistical properties at the same physical conditions.

Yuchiung Hsu - One of the best experts on this subject based on the ideXlab platform.

  • multi agent collaborative 3d design with geometric model at different levels of detail
    Robotics and Computer-integrated Manufacturing, 2009
    Co-Authors: Chihhsing Chu, Yuchiung Hsu
    Abstract:

    This paper presents a scheme for collaborative 3D design using product model at various levels of detail (LODs). Design features are selectively hidden at each level from certain participants, depending on their actual needs and individual accessibility in the collaboration. A tree data structure represents the feature hierarchy of CAD construction, the link between feature and LOD, and 2D mesh data for display control of each feature. An XML/XSLT-based approach is proposed to enable real-time visualization of different LOD models in distributed environment. A collaborative design system is implemented using multi-agent technologies, which focuses on function design of each agent, interactions among agents, the client-server structure, and generation of the LOD data using the XML/XSLT approach. A scenario of synchronous 3D mold assembly demonstrates that geometric categorization of product model provides an operational mechanism for assuring security of information sharing in engineering collaborations over the Internet. It also validates the effectiveness of the agent technologies for automating complex engineering activities.

  • collaborative 3d product development with multiple levels of detail in visualization of design features
    Computer-aided Design and Applications, 2006
    Co-Authors: Chihhsing Chu, Yuchiung Hsu
    Abstract:

    This research develops a novel representation scheme for collaborative 3D product development with multiple levels of detail (LODs) based on integration of feature model and 2D meshes. Different features are selectively hidden in the product model from certain collaborators, depending on their individual authorities and actual requirements in collaboration. The feature switch face is used to control display/hiding of each feature. A tree-like data structure is introduced for characterizing the feature hierarchy, 2D mesh, and the relations of each feature to the switch faces and LODs in a product model. Algorithms are also provided for quick generation of the mesh data from the data structure for displaying the 3D model corresponding to any LOD. An agent-based system, which allows multi-user synchronous collaborative 3D assembly over the Internet, is implemented to demonstrate the effectiveness of this work. A real scenario of 3D mold design using the system shows that the proposed LOD concept enhances the security of information sharing and the efficiency of data transmission while ensures the practicality in network-based 3D design collaboration.

Chihhsing Chu - One of the best experts on this subject based on the ideXlab platform.

  • multi agent collaborative 3d design with geometric model at different levels of detail
    Robotics and Computer-integrated Manufacturing, 2009
    Co-Authors: Chihhsing Chu, Yuchiung Hsu
    Abstract:

    This paper presents a scheme for collaborative 3D design using product model at various levels of detail (LODs). Design features are selectively hidden at each level from certain participants, depending on their actual needs and individual accessibility in the collaboration. A tree data structure represents the feature hierarchy of CAD construction, the link between feature and LOD, and 2D mesh data for display control of each feature. An XML/XSLT-based approach is proposed to enable real-time visualization of different LOD models in distributed environment. A collaborative design system is implemented using multi-agent technologies, which focuses on function design of each agent, interactions among agents, the client-server structure, and generation of the LOD data using the XML/XSLT approach. A scenario of synchronous 3D mold assembly demonstrates that geometric categorization of product model provides an operational mechanism for assuring security of information sharing in engineering collaborations over the Internet. It also validates the effectiveness of the agent technologies for automating complex engineering activities.

  • collaborative 3d product development with multiple levels of detail in visualization of design features
    Computer-aided Design and Applications, 2006
    Co-Authors: Chihhsing Chu, Yuchiung Hsu
    Abstract:

    This research develops a novel representation scheme for collaborative 3D product development with multiple levels of detail (LODs) based on integration of feature model and 2D meshes. Different features are selectively hidden in the product model from certain collaborators, depending on their individual authorities and actual requirements in collaboration. The feature switch face is used to control display/hiding of each feature. A tree-like data structure is introduced for characterizing the feature hierarchy, 2D mesh, and the relations of each feature to the switch faces and LODs in a product model. Algorithms are also provided for quick generation of the mesh data from the data structure for displaying the 3D model corresponding to any LOD. An agent-based system, which allows multi-user synchronous collaborative 3D assembly over the Internet, is implemented to demonstrate the effectiveness of this work. A real scenario of 3D mold design using the system shows that the proposed LOD concept enhances the security of information sharing and the efficiency of data transmission while ensures the practicality in network-based 3D design collaboration.