Publikationen in Zusammenarbeit mit Forschern von University of Cambridge (37)

2021

  1. Minimal Design Principles for Icosahedral Virus Capsids

    ACS Nano, Vol. 15, Núm. 9, pp. 14873-14884

2017

  1. Dynamics and thermodynamics of the coronene octamer described by coarse-grained potentials

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 3, pp. 1884-1895

  2. New tetrahedral polymorphs of the group-14 elements

    Journal of Physics: Conference Series

2016

  1. Coarse-graining the structure of polycyclic aromatic hydrocarbons clusters

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 20, pp. 13736-13740

  2. Self-assembly of colloidal magnetic particles: Energy landscapes and structural transitions

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 38, pp. 26579-26585

2015

  1. Low-energy tetrahedral polymorphs of carbon, silicon, and germanium

    Physical Review B - Condensed Matter and Materials Physics, Vol. 91, Núm. 21

2014

  1. The effect of dispersion damping functions on the structure of water clusters

    Chemical Physics, Vol. 444, pp. 23-29

2012

  1. Optimal covering of C 60 fullerene by rare gases

    Journal of Chemical Physics, Vol. 137, Núm. 7

2011

  1. Physical properties of small water clusters in low and moderate electric fields

    Journal of Chemical Physics, Vol. 135, Núm. 12

  2. Theoretical study of pressure-driven phase transitions in HgSe and HgTe

    Physical Review B - Condensed Matter and Materials Physics, Vol. 83, Núm. 9

2009

  1. Energy landscapes for shells assembled from pentagonal and hexagonal pyramids

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 12, pp. 2098-2104

  2. Soft-phonon instability in zincblende HgSe and HgTe under moderate pressure: Ab initio pseudopotential calculations

    Physical Review B - Condensed Matter and Materials Physics, Vol. 80, Núm. 14

2007

  1. Energy landscapes for water clusters in a uniform electric field

    Journal of Chemical Physics, Vol. 126, Núm. 5

2006

  1. Global potential energy minima of C60(H2O) n clusters

    Journal of Physical Chemistry B, Vol. 110, Núm. 27, pp. 13357-13362

  2. Thermodynamics of water octamer in a uniform electric field

    Journal of Chemical Physics, Vol. 125, Núm. 22

2005

  1. Global minima and energetics of Li+(H2O)n and Ca2+(H2O)n clusters for n ≤ 20

    Chemical Physics Letters, Vol. 412, Núm. 1-3, pp. 23-28

  2. Global minima for water clusters (H2O)n, n ≤ 21, described by a five-site empirical potential

    Chemical Physics Letters, Vol. 415, Núm. 4-6, pp. 302-307

  3. Global minima of (C60)nCa2+, (C 60)nF- and (C60)nI - clusters

    Chemical Physics Letters, Vol. 410, Núm. 4-6, pp. 404-409

2004

  1. Lowest-energy structures of (C60)nX (X=Li +,Na+,K+,Cl-) and (C 60)nYCl (Y=Li,Na,K) clusters for n≤13

    Journal of Chemical Physics, Vol. 121, Núm. 24, pp. 12315-12322

  2. Supercooled Lennard-Jones liquids and glasses: A kinetic Monte Carlo approach

    Journal of Non-Crystalline Solids, Vol. 336, Núm. 3, pp. 218-222