Browsing Kjemisk institutt by Author "Li, Xinmeng"

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  • Efficient and realistic simulation of phase coexistence 
    Sevink, G.J.A.; Blokhuis, Edgar M.; Li, Xinmeng; Milano, Giuseppe (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
    We show how an existing concurrent multi-scale method named hybrid particle field-molecular dynamics (hPF-MD) can be adapted to enable the simulation of structure and/or structural dynamics in compressible systems. ...
  • HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multiscale Simulations of Soft Matter 
    Ledum, Morten; Sen, Samiran; Li, Xinmeng; Carrer, Manuel; Feng, Yu; Cascella, Michele; Bore, Sigbjørn Løland (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    We present HylleraasMD (HyMD), a comprehensive implementation of the recently proposed Hamiltonian formulation of hybrid particle-field molecular dynamics. The methodology is based on a tunable, grid-independent length-scale ...
  • HylleraasMD: Massively parallel hybrid particle-field molecular dynamics in Python 
    Ledum, Morten; Carrer, Manuel; Sen, Samiran; Li, Xinmeng; Cascella, Michele; Bore, Sigbjørn Løland (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    Molecular dynamics (MD) is a computational methodology in which the dynamical behavior of systems of interacting atoms and molecules is investigated by integrating the corresponding classical equations of motion. The ...
  • Manifestation of Hydrogen Bonding and Exciton Delocalization on the Absorption and Two-Dimensional Electronic Spectra of Chlorosomes 
    Erić, Vesna; Li, Xinmeng; Dsouza, Lolita; Frehan, Sean K.; Huijser, Annemarie; Holzwarth, Alfred R.; Buda, Francesco; Sevink, G. J. Agur; De Groot, Huub J. M.; Jansen, Thomas L. C. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    Chlorosomes are supramolecular aggregates that contain thousands of bacteriochlorophyll molecules. They perform the most efficient ultrafast excitation energy transfer of all natural light-harvesting complexes. Their broad ...
  • Micelle kinetics of photoswitchable surfactants: Self-assembly pathways and relaxation mechanisms 
    Bjørnestad, Victoria Ariel; Li, Xinmeng; Tribet, Christophe; Lund, Reidar; Cascella, Michele (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    Hypothesis: A key question in the kinetics of surfactant self-assembly is whether exchange of unimers or fusion/fission of entire micelles is the dominant pathway. In this study, an isomerizable surfactant is used to explore ...
  • Photon Energy-Dependent Ultrafast Exciton Transfer in Chlorosomes of Chlorobium tepidum and the Role of Supramolecular Dynamics 
    Frehan, Sean K.; Dsouza, Lolita; Li, Xinmeng; Eríc, Vesna; Jansen, Thomas L. C.; Mul, Guido; Holzwarth, Alfred R.; Buda, Francesco; Sevink, G. J. Agur; de Groot, Huub J. M.; Huijser, Annemarie (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    The antenna complex of green sulfur bacteria, the chlorosome, is one of the most efficient supramolecular systems for efficient long-range exciton transfer in nature. Femtosecond transient absorption experiments provide ...
  • The role of chirality and plastic crystallinity in the optical and mechanical properties of chlorosomes 
    Li, Xinmeng; Buda, Francesco; de Groot, Huub; Sevink, G.J.Agur (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)
    The most efficient light-harvesting antennae found in nature, chlorosomes, are molecular tubular aggregates (TMAs) assembled by pigments without protein scaffolds. Here, we discuss a classification of chlorosomes as a ...
  • Ultrafast Anisotropy Decay Reveals Structure and Energy Transfer in Supramolecular Aggregates 
    Erić, Vesna; Castro, Jorge Luis; Li, Xinmeng; Dsouza, Lolita; Frehan, Sean K.; Huijser, Annemarie; Holzwarth, Alfred R.; Buda, Francesco; Sevink, G. J. Agur; de Groot, Huub J. M.; Jansen, Thomas L. C. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    Chlorosomes from green bacteria perform the most efficient light capture and energy transfer, as observed among natural light-harvesting antennae. Hence, their unique functional properties inspire developments in artificial ...