SFB ViCoM-2: F4113 Dellago

Christoph Dellago
University of Vienna (Universität Wien)
Computergestützte Physik;Forschungsplattform Internationales Erwin Schrödinger Institut für Mathematik und Physik;Institut für LehrerInnenbildung, Faculty pf Physics/Computational Physics

VSC project / type: 70753 / funded

VSC-3 / status: 2015-03-26 - 2020-03-28 / active
VSC-2 / status: 2015-03-26 - 2019-03-28 / finished

Publications:

  • Qin Lin, Dellago Christoph, Kozeschnik Ernst
    An efficient method to reconstruct free energy profiles for diffusive processes in transition interface sampling and forward flux sampling simulations
    JOURNAL OF CHEMICAL PHYSICS 150, 094114 (2019)

  • Cheng Bingqing, Engel Edgar A., Behler Joerg, Dellago Christoph, Ceriotti Michele
    Ab initio thermodynamics of liquid and solid water
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 116, 1110 (2019)

  • Cheng Bingqing, Dellago Christoph, Ceriotti Michele
    Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20, 28732 (2018)

  • Qin Lin, Redermeier Alice, Dellago Christoph, Kozeschnik Ernst, Karner Carina
    Rigid-lattice Monte Carlo study of nucleation kinetics in dilute bcc Fe-Cu alloys using statistical sampling techniques
    ACTA MATERIALIA 159, 429 (2018)

  • Innerbichler Max, Menzl Georg, Dellago Christoph
    State-dependent diffusion coefficients and free energies for nucleation processes from Bayesian trajectory analysis
    MOLECULAR PHYSICS 116, 2987 (2018)

  • Burian Max, Karner Carina, Yarema Maksym, Heiss Wolfgang, Amenitsch Heinz, Dellago Christoph, Lechner Rainer T.
    A Shape-Induced Orientation Phase within 3D Nanocrystal Solids
    ADVANCED MATERIALS 30, 1802078 (2018)

  • Moritz Clemens, Troester Andreas, Dellago Christoph
    Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model
    JOURNAL OF CHEMICAL PHYSICS 147, 152714 (2017)

  • Sega Marcello, Dellago Christoph
    Long-Range Dispersion Effects on the Water/Vapor Interface Simulated Using the Most Common Models
    JOURNAL OF PHYSICAL CHEMISTRY B 121, 3798 (2017)

  • Hasnain Jaffar, Menzl Georg, Jungblut Swetlana, Dellago Christoph
    Crystallization and flow in active patch systems
    SOFT MATTER 13, 930 (2017)

  • Menzl Georg, Dellago Christoph
    Effect of entropy on the nucleation of cavitation bubbles in water under tension
    JOURNAL OF CHEMICAL PHYSICS 145, 211918 (2016)

  • Menzl Georg, Gonzalez Miguel A., Geiger Philipp, Caupin Frederic, Abascal Jose L. F., Valeriani Chantal, Dellago Christoph
    Molecular mechanism for cavitation in water under tension
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113, 13582 (2016)

  • Borrero E. E., Dellago C.
    Avoiding traps in trajectory space: Metadynamics enhanced transition path sampling
    EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 225, 1609 (2016)

  • Jungblut S., Dellago C.
    Pathways to self-organization: Crystallization via nucleation and growth
    SOFT MATTER SELF-ASSEMBLY 193, 217 (2016)

  • Jungblut Swetlana, Dellago Christoph
    Heterogeneous Crystallization on Pairs of Pre-Structured Seeds
    JOURNAL OF PHYSICAL CHEMISTRY B 120, 9230 (2016)

  • Leitold Christian, Dellago Christoph
    Nucleation and structural growth of cluster crystals
    JOURNAL OF CHEMICAL PHYSICS 145, 074504 (2016)

  • Leitold Christian, Lechner Wolfgang, Dellago Christoph
    A string reaction coordinate for the folding of a polymer chain
    JOURNAL OF PHYSICS-CONDENSED MATTER 27, 194126 (2015)

  • Lechner Wolfgang, Polster David, Maret Georg, Dellago Christoph, Keim Peter
    Entropy and kinetics of point defects in two-dimensional dipolar crystals
    PHYSICAL REVIEW E 91, 032304 (2015)

  • Pedersen Ulf R., Hummel Felix, Dellago Christoph
    Computing the crystal growth rate by the interface pinning method
    JOURNAL OF CHEMICAL PHYSICS 142, 044104 (2015)



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