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1999, Physics reports, Volume 318, no. 3., 85-112
Book
Science, ISSN 0036-8075, 06/2005, Volume 308, Issue 5727, pp. 1442 - 1446
Journal Article
MACROMOLECULES, ISSN 0024-9297, 07/2019, Volume 52, Issue 14, pp. 5140 - 5156
Polyelectrolyte complex coacervation plays an essential role in compartmentalization in living cells and is important in multiple scenarios of prebiotic... 
PHASE-SEPARATION | MIXTURES | MICRODROPLETS | POLYMER SCIENCE | MACROMOLECULES | DNA | OPPOSITELY CHARGED POLYELECTROLYTES | STATISTICAL THERMODYNAMICS | COMPLEX COACERVATION | RODLIKE PARTICLES | MODEL
Journal Article
Macromolecules, ISSN 0024-9297, 12/2018, Volume 51, Issue 23, pp. 9538 - 9546
Micelle formation generally relies on hydrophobic or electrostatic interactions between distinct regions of amphiphilic molecules. In this work, a different... 
MOLECULAR-DYNAMICS | POLYMER SCIENCE | POLY(ETHYLENE OXIDE) | SULFIDE
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 5/2019, Volume 21, Issue 18, pp. 9362 - 9375
The design of polymeric membranes for proton or ionic exchange highly depends on the fundamental understanding of the physical and molecular mechanisms that... 
EXCHANGE MEMBRANES | EWALD SUMS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | MESH | POLYMER-SOLUTIONS | SIMULATIONS | SEPARATION | SELECTIVE TRANSPORT | METHANOL FUEL-CELL | WATER | Membranes | Chain mobility | Proton conduction | Potential gradients | Chains (polymeric) | Channels | Convection | Computation | Membrane structures | Morphology | Multiscale analysis | Transport | Polymers
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 2019, Volume 15, Issue 2, pp. 1199 - 1208
A novel methodology is introduced here to generate coarse-grained (CG) representations of molecular models for simulations. The proposed strategy relies on... 
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | SITES | CHEMISTRY, PHYSICAL | FORCE-FIELD | BIOMOLECULES | SIMULATIONS | MODEL | Proteins | Organic chemistry | Polysaccharides | Granulation | Computer simulation | Toluene | Mapping | Dimers | Graph theory | Graphical representations | Topology | Nodes
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2019, Volume 150, Issue 21
A central question in epigenetics is how histone modifications influence the 3D structure of eukaryotic genomes and, ultimately, how this 3D structure is... 
Journal Article
Macromolecules, ISSN 0024-9297, 09/2018, Volume 51, Issue 17, pp. 6717 - 6723
Complex coacervation refers to the formation of distinct liquid phases that arise when polyelectrolytes are mixed under appropriate polymer and salt... 
SALT | POLYMER SCIENCE | VISCOELASTIC PROPERTIES | PHASE-BEHAVIOR | OPPOSITELY CHARGED POLYELECTROLYTES | MICROENCAPSULATION | ELECTROLYTE-SOLUTIONS | DRIVEN | SEPARATION | MOLECULAR-DYNAMICS SIMULATIONS | POLYPEPTIDE
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 02/2019, Volume 150, Issue 5, pp. 054902 - 054902
The identification of effective collective variables remains a challenge in molecular simulations of complex systems. Here, we use a nonlinear manifold... 
COMPLEX | DNA | SEQUENCE | EXPLORATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | DIMENSIONALITY-REDUCTION | CORE PARTICLE | Proteins | Maps | Machine learning | Diffusion | Complex systems | Manifolds (mathematics) | Deoxyribonucleic acid--DNA | Free energy | System effectiveness | Index Medicus
Journal Article
ACS NANO, ISSN 1936-0851, 04/2019, Volume 13, Issue 4, pp. 4073 - 4082
Templated assembly of cylindrical block copolymers provides a promising strategy for patterning holes at the nanoscale. However, remaining challenges include... 
template | blend | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | BLENDS | CHEMISTRY, MULTIDISCIPLINARY | block copolymer | homopolymer | NANOELECTRONICS | confinement | PHASE-BEHAVIOR | DIBLOCK COPOLYMER | directed self-assembly | grapho-epitaxy | DEFECT ANNIHILATION
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2019, Volume 150, Issue 21, pp. 215102 - 215102
A central question in epigenetics is how histone modifications influence the 3D structure of eukaryotic genomes and, ultimately, how this 3D structure is... 
Micrometers | Computer simulation | Scale models | Epigenetics | Histones | Genomes | Software | Topology | Gene expression | Computing time | Deoxyribonucleic acid--DNA | Multiscale methods | Index Medicus
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 03/2019, Volume 150, Issue 10, pp. 104502 - 104502
Metal-organic frameworks (MOFs) represent an important class of materials. Careful selection of building blocks allows for tailoring of the properties of the... 
CRYSTALLIZATION | DESIGN | IN-SITU DIFFRACTION | TEMPERING MONTE-CARLO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ENUMERATION | REPLICA EXCHANGE | SIMULATION | HYDROGEN STORAGE | EFFICIENT | MOF-5 | Solvents | Self assembly | Materials selection | Design of experiments | Metal-organic frameworks | Free energy | Polymorphism
Journal Article
Revista médica de Chile, ISSN 0034-9887, 06/2005, Volume 133, Issue 6, pp. 707 - 712
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 11/2018, Volume 149, Issue 20, pp. 204503 - 204503
Improvements to the photostability of organic glasses for use in electronic applications have generally relied on the modification of the chemical structure.... 
THIN-FILMS | TRANSITION | DYE | STABILITY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MOLECULAR-ORIENTATION | STATE | FLUORESCENT-PROBE | SIZE DISTRIBUTION | POLYMER MATRICES | Physical vapor deposition | Organic chemistry | Substrates | Glass
Journal Article