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Physical review letters, ISSN 0031-9007, 10/2015, Volume 115, Issue 14, p. 149902
Journal Article
ISSN 1744-683X, 1/2016, Volume 12, Issue 3, pp. 642 - 657
Over the last decade flat-histogram Monte Carlo simulations, especially multi-canonical and Wang-Landau simulations, have emerged as a strong tool to study the... 
Journal Article
Nature Communications, ISSN 2041-1723, 02/2017, Volume 8, Issue 1, p. 14546
A common approach to study nucleation rates is the estimation of free-energy barriers. This usually requires knowledge about the shape of the forming droplet,... 
MONTE-CARLO | CRYSTAL-NUCLEATION | TRANSITION | DROPLET FORMATION | PHASE | HOMOGENEOUS NUCLEATION | THERMODYNAMICS | MULTIDISCIPLINARY SCIENCES | EQUILIBRIUM | CONDENSATION
Journal Article
Journal of Physics: Conference Series, ISSN 1742-6588, 09/2016, Volume 750, Issue 1
Conference Proceeding
PHYSICAL REVIEW LETTERS, ISSN 0031-9007, 02/2019, Volume 122, Issue 6, p. 060602
Population annealing is a powerful tool for large-scale Monte Carlo simulations. We adapt this method to molecular dynamics simulations and demonstrate its... 
PHYSICS, MULTIDISCIPLINARY | ALGORITHM | Annealing | Algorithms | Simulation | Computer simulation | Computation | Molecular dynamics | Supercomputers
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 10/2018, Volume 149, Issue 14, p. 144903
We investigate the structural phases of single poly(3-hexylthiophene) (P3HT) polymers that are adsorbed on a two-dimensional substrate with a striped pattern.... 
CHAIN | PATTERN-RECOGNITION | POLYMER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHARGE-TRANSPORT | CRYSTALS | CHEMISTRY, PHYSICAL | SELF-ORGANIZATION | ADSORPTION | LATTICE | BLENDS | MORPHOLOGY | Phase diagrams | Computer simulation | Exchange schemes | Polymers | Configurations | Monte Carlo simulation | Substrates
Journal Article
Soft Matter, ISSN 1744-683X, 01/2016, Volume 12, Issue 3, pp. 642 - 657
Over the last decade flat-histogram Monte Carlo simulations, especially multi-canonical and Wang-Landau simulations, have emerged as a strong tool to study the... 
Monte Carlo methods | Phase diagrams | Algorithms | Computer simulation | Parallel computers | Mathematical models | Agglomeration | Chains (polymeric)
Journal Article
Soft Matter, ISSN 1744-683X, 2016, Volume 12, Issue 3, pp. 642 - 657
Journal Article
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 01/2014, Volume 140, Issue 3, p. 034904
We study the conformational properties of heteropolymers containing two types of monomers A and B, modeled as self-attracting self-avoiding random walks on a... 
STATISTICAL-MECHANICS | COLLAPSE | SELF-AVOIDING WALKS | PHASE-TRANSITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LATTICE HETEROPOLYMERS | POLYAMPHOLYTES | COMPUTER-SIMULATION | THETA-POLYMERS | PROTEINS | RANDOM-ENERGY-MODEL
Journal Article
Physical Review Letters, ISSN 0031-9007, 03/2016, Volume 116, Issue 12, p. 128301
Using a combination of the multicanonical Monte Carlo algorithm and the replica-exchange method, we investigate the influence of bending stiffness on the... 
PHAGE CAPSIDS | MACROMOLECULES | PHYSICS, MULTIDISCIPLINARY | GLOBULE | PHASE-TRANSITIONS | DNA | SIMULATIONS | CHAINS | MODEL | PROTEINS | Latent heat | Phases | Bending | Constants | Stiffness | Order parameters | Polymers | Knots
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2015, Volume 143, Issue 13, p. 134114
Molecular Dynamics (MD) and Monte Carlo (MC) simulations are the most popular simulation techniques for many-particle systems. Although they are often applied... 
LENNARD-JONES CLUSTERS | POLYMERS | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | 1ST-ORDER PHASE-TRANSITIONS | CHEMISTRY, PHYSICAL | MULTICANONICAL ENSEMBLE | AGGREGATION | Histograms | Simulation | Computer simulation | Conservation | Angular momentum | Molecular dynamics | Phase transitions
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 02/2013, Volume 138, Issue 5, p. 054904
In a recent computational study, we found highly structured conformations for the polymer-attractive sphere model system. Those conformations are of highly... 
MONTE-CARLO | BINDING-SPECIFICITY | PROTEIN | PHASE-TRANSITIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | MODEL | ADSORPTION | POLYPEPTIDES | PEPTIDE | SURFACES | Polymers - chemistry | Molecular Structure | Monte Carlo Method | Molecular Dynamics Simulation | Tensors | Cage | Mathematical analysis | Coiling | Mathematical models | Chains (polymeric) | Two dimensional | Gyration
Journal Article
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 07/2015, Volume 92, Issue 1, p. 012134
We present a finite-size scaling analysis of the droplet condensation-evaporation transition of a lattice gas (in two and three dimensions) and a Lennard-Jones... 
MONTE-CARLO | CRYSTAL SHAPES | PHYSICS, FLUIDS & PLASMAS | LINE | 1ST-ORDER PHASE-TRANSITIONS | ISING-MODEL | SURFACE | EVAPORATION/CONDENSATION TRANSITION | SIMULATIONS | PHYSICS, MATHEMATICAL | REGION | ARGON
Journal Article
Computer Physics Communications, ISSN 0010-4655, 11/2017, Volume 220, pp. 74 - 80
Journal Article
Nuclear Physics, Section B, ISSN 0550-3213, 01/2017, Volume 914, Issue C, pp. 388 - 404
Journal Article
EPL, ISSN 0295-5075, 01/2015, Volume 109, Issue 2, pp. 28002 - p1-28002-p6
We study the aggregation transition of a finite theta-polymer system in dependence on the bending stiffness. with the help of parallel multicanonical... 
MONTE-CARLO | AMYLOID FIBRILS | PARTICLES | PHYSICS, MULTIDISCIPLINARY | LENGTH | TRANSITIONS | SIMULATIONS | CHAINS | Phase diagrams | Phases | Aggregates | Amorphous structure | Mathematical analysis | Stiffness | Order parameters | Agglomeration | Bundles | Physics - Soft Condensed Matter
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 08/2009, Volume 80, Issue 5
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 09/2014, Volume 141, Issue 11, p. 114908
We investigate the aggregation transition of theta polymers in spherical confinement with multicanonical simulations. This allows for a systematic study of the... 
MONTE-CARLO | THERMODYNAMICS | FLEXIBLE POLYMERS | KINETICS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CHAINS | Transition temperature | Confinement | Temperature | Dilution | Dependence | Size effects | Agglomeration | Polymers | Density | Physics - Soft Condensed Matter
Journal Article
Journal of Physics: Conference Series, ISSN 1742-6588, 02/2018, Volume 955, Issue 1
We draw an analogy between droplet formation in dilute particle and polymer systems. Our arguments are based on finite-size scaling results from studies of a... 
Conference Proceeding
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