Portal de Transparencia

Actividad investigadora:

• Artículos en revistas
  • [2018] Confined Polymers as Self-Avoiding Random Walks on Restricted Lattices
  • [2018] Effect of Bond Tangency/Gap on the Crystallization of Athermal Polymer Packings
  • [2018] Off-lattice simulation algorithms for athermal chain molecules under extreme confinement
  • [2017] Effect of Bond Tangency/Gap on the Crystallization of Athermal Polymer Packings
  • [2015] Effect of chain stiffness on the competition between crystallization and glass-formation in model unentangled polymers
  • [2015] Monte Carlo simulations of densely-packed athermal polymers in the bulk and under confinement
  • [2014] A metric to gauge local distortion in metallic glasses and supercooled liquids
  • [2014] Monte Carlo simulations of densely-packed athermal polymers in the bulk and under confinement
  • [2014] Twinning of Polymer Crystals Suppressed by Entropy
  • [2013] Jamming and crystallization in athermal polymer packings
  • [2013] Simple model for chain packing and crystallization of soft colloidal polymers
  • [2013] Spontaneous Crystallization in Athermal Polymer Packings
  • [2012] Evolution of fivefold local symmetry during crystal nucleation and growth in dense hard-sphere packings
  • [2011] Fivefold symmetry as an inhibitor to hard-sphere crystallization
  • [2011] Influence of Nanorod Inclusions on Structure and Primitive Path Network of Polymer Nanocomposites at Equilibrium and Under Deformation
  • [2010] N. KARAYIANNIS, K. FOTEINOPOULOU, C. F. ABRAMS, M. LASO, ''Modeling of crystal nucleation and growth in athermal polymers: self-assembly of layered nano-morphologies'' Soft Matter 6, 2160-2173 (2010)
  • [2009] C. ALEMÁN, N. KARAYIANNIS, D. CURCO, K. FOTEINOPOULOU, M. LASO "Computer Simulations of Amorphous Polymers: from Quantum Mechanical Calculations to Mesoscopic Models" Journal of Molecular Structure: THEOCHEM 898, 62-72 (2009)
  • [2009] K. FOTEINOPOULOU, N. CH. KARAYIANNIS, M. LASO, M. KRÖGER, M. MANSFIELD "Universal Scaling, Entanglements, and Knots of Model Chain Molecules" Virtual Journal of Quantum Information, 9:1 (2009)
  • [2009] K. FOTEINOPOULOU, N. KARAYIANNIS, M. LASO, M. KRÖGER "Structure, Dimensions and entanglement statistics of long linear polyethylene chains" Journal of Physical Chemistry B, 113, 442-455 (2009)
  • [2009] K. FOTEINOPOULOU, N. KARAYIANNIS, M. LASO, M. KRÖGER "Structure, dimensions, and entanglement statistics of long linear polyenthylene chains" The Journal of chemical Physics B, 113, 442 (2009)
  • [2009] K. FOTEINOPOULOU, N. KARAYIANNIS, M. LASO, M. KRÖGER, M. MANSFIELD "Universal Scaling, Entanglements, and Knots of Model Chain Molecules" Virtual Journal of Biological Physics Research, 17:1 (2009)
  • [2009] M. LASO, N. KARAYIANNIS, K. FOTEINOPOULOU, M. KRÖGER, M. MANSFIELD "Random Packing of Model Polymers: Local Structure, Topological Hindrance and Universal Scaling" Soft Matter 5, 1762 (2009)
  • [2009] M. LASO, N. KARAYIANNIS, K. FOTEINOPOULOU, M. KRÖGER, M. MANSFIELD "Maximally random jammed packings of hard-sphere chain molecules: universal scaling, entanglement and knotting" Soft Matter, 1762-1770 (2009)
  • [2009] N. KARAYIANNIS, K. FOTEINOPOULOU, M. LASO "Contact network in nearly jammed disordered packings of hard-sphere chains" Physical Review E 80, 011307 (2009)
  • [2009] N. KARAYIANNIS, K. FOTEINOPOULOU, M. LASO "Entropy-driven crystallization in dense systems of athermal chain molecules" Physical Review Letters, 130, 164908 (2009)
  • [2009] N. KARAYIANNIS, K. FOTEINOPOULOU, M. LASO "The characteristic crystallographic element norm: a descriptor of local structure in atomistic and particulate systems" Journal of Chemical Physics, 130, 074704 (2009)
  • [2009] N. KARAYIANNIS, K. FOTEINOPOULOU, M. LASO "The structure of random packings of freely jointed chains of tangent hard spheres" Journal of Chemical Physics 130, 164908 (2009)
  • [2009] N. KARAYIANNIS, M. KROGER "Combined molecular algorithms for the generation, equilibration and topological analysis of entangled polymers: methodology and performance" International Journal of Molecular Sciences, 5054-5089 (2009)
  • [2009] N. KARAYIANNIS, M. LASO, M. KRÖGER "Detailed atomistic molecular-dynamics simulations of ¿-conotoxin AuIB in water" Journal of Physical Chemistry B, 113, 5016 (2009)
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• Capítulos de libros
  • [2018] 'Absorption' in Kirk-Othmer Encyclopedia of Chemical Technology, Wiley (2018). DOI:10.1002/0471238961.0102191519201503.a01.pub3
• Conferencias invitadas en congresos
  • [2012] Rheology of linear monodisperse polyethylene melts from atomistic Molecular Dynamics simulations
  • [2011] Polymer dynamics: Entanglements and Architectures
  • [2010] N. C. KARAYIANNIS "Structure, topology and phase transitions in dense packings of model polymers" 4th Meeting on High Performance Computing in Molecular Simulation Madrid (Spain) 2010
  • [2010] N. C. KARAYIANNIS. "Multi-scale modeling of polymers: structure-property relation". Harbin Institute of Technology Harbin (China) 2010
  • [2010] N. C. KARAYIANNIS."Structure, topology and phase transitions in dense packings of model polymers". 4th Meeting on High Performance Computing in Molecular Simulation. Madrid (Spain) 2010
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• Estancias y sabáticos recogidos en programas oficiales
  • [2010] Dr. N. C KARAYIANNIS, invited visiting professor, Harbin Institute of Technology (HIT), Harbin, China, 2010.
• Otras Publicaciones
  • [2019] Número Especial del Editor: Simulation of Crystallization in Complex Atomic and Particulate Systems
  • [2018] Artículo que ha sido elegido como «Excellent Paper» por la revista «Polymers» para Q4 de 2018. Autores: J.BENITO, N.C. KARAYIANNIS, M.LASO Cita: Polymers. Volume 10, Issue 12, number 1394 (2018) Año: 2018. DOI: 10.3390/polym10121394
  • [2016] Grupo de Dispositivos Semiconductores del ISOM: Modelo de cristalización de POLÍMEROS
• Otros méritos
  • [2019] Dr. Nikolaos Ch Karayiannis: Massively-Parallel Simulations for Polymer-Based Nanocomposites in the Bulk and Under Confinement. Red Española de Supercomputación (RES). Entidad de realización: Barcelona Supercomputing Center. Centro Nacional de Supercomputación
  • [2019] Dr. Nikolaos Karagiannis. Expert Evaluator for Marie Skodowska-Curie Actions
  • [2019] Dr. Nikos Karagiannis, tutor del Máster de Miguel Herranz Feito. Molecular Simulation of Polymers: From Self-Assembled Clusters to Polymer Nanocomposites
  • [2019] Reviewer for conference 8th Global Conference on Materials Science and Engineering (CMSE 2019)
  • [2018] Nikos Ch. Karayiannis (P.I.), Nanoscale fabrication through copolymer self-assembly. (p208), Centro de Supercomputación y Visualización de Madrid (CeSViMa), UPM, Madrid (computational project, awarded time > 300,000 CPU hours).
  • [2018] Nikos Ch. Karayiannis (P.I.), Simulation of Polymers Under Conditions of Extreme Confinement for Thin-Film Applications (q373), Centro de Supercomputación y Visualización de Madrid (CeSViMa), UPM, Madrid (computational project, awarded time > 50,000 CPU hours).
  • [2018] Nikos Ch. Karayiannis: Expert Evaluator for Marie Sklodowska-Curie Actions (H2020-MSCA-ITN-2018).
  • [2018] Nikos Ch. Karayiannis: Reviewer for the international scientific conference: 7th International Conference on Materials Science and Engineering (CMSE 2018), Xian, China.
  • [2018] Nikos Ch. Karayiannis: Reviewer for the scientific journals: Physical Review E, Royal Society Open Science, Physical Review Letters, APL Materials, AIP Advances, Materials Chemistry and Physics.
  • [2016] Member of the Review committee for the 5th International Conference on Materials Science and Engineering (CMSE 2016).
  • [2016] Modeling of polymer-based systems in the bulk and at complex interfaces using advanced simulation methods (n984), Centro de Supercomputación y Visualización de Madrid (CeSViMa), UPM, Madrid (computational project, awarded time > 300,000 CPU hours).
  • [2016] Reviewer for the scientific journals (Phys. Rev. E, Macromolecules, Phys. Rev. Lett.).
  • [2015] Others Scientific Projects.- Nikos Ch. Karayiannis, "Modelado de macromoléculas sintéticas y biológicas por medio de métodos jerárquicos y multiescala" (A20601011), Centro de Supercomputación y Visualización de Madrid (CeSViMa), UPM, Madrid (computational project, awarded time > 300,000 CPU hours).
  • [2015] Professional distinctions.- N. Ch. Karayiannis, K.Foteinopoulou, M. Laso ''The role of bond tangency and bond gaps in hard sphere crystallization of chains'' Soft Matter 11(9), 1688-1700 (2015),
  • [2015] Publication: [H. T. Nguyen, T.B. Smith, R.S. Hoy, N Ch. Karayiannis ''Effect of chain stiffness on the competition between crystallization and glass-formation in model unentangled polymers'' , The Journal of Chemical Physics 143, 144901 (2015)] i) Selected as feature article: http://scitation.aip.org/content/aip/journal/jcp/143/14 ii) Illustration selected for journal cover: http://scitation.aip.org/content/aip/journal/jcp/143/14
  • [2015] Revisor de revistas incluidas en JCR
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• Ponencia en Congresos
  • [2019] Self-Assembly and Crystallization of Polymers Under Square Well Potential
  • [2018] Effect of Bond Tangency/Gap on the Crystallization of Athermal Polymer Packings
  • [2018] Entanglements in Model Polymers: A Hierarchical Simulation Study
  • [2018] Monte Carlo Simulations of Athermal Polymers Under Extreme Confinement
  • [2017] Effect of bond tangency/gap on the phase behaviour of athermal polymer packings
  • [2017] Monte Carlo simulations of hard-sphere chains under nano-confinement
  • [2016] Effect of bond tangency/gap on the packing behaviour of hard sphere chains in the bulk and under confinement
  • [2015] Effect of chain stiffness on the competition between crystallization and glass formation in model polymers
  • [2015] Relation of local structure to glass- formability in a crystallizable bead-spring polymer
  • [2015] Relation of local structure to glass- formability in a crystallizable bead-spring polymer model
  • [2014] Jamming, glass formation and crystallization in systems of anisotropic particles
  • [2014] Packing of atermal polymers in the bulk and under confinement
  • [2012] Entropy driven phase transition in dense packings of athermal chain molecules
  • [2012] Entropy-Driven Crystallization In Dense Systems Of Athermal Chain
  • [2012] Entropy-driven crystallization in dense systems of athermal chain molecules
  • [2012] Rheology of linear polyethylene melts from atomistic Molecular Dynamics simulations
  • [2012] Rheology of linear polyethylene melts from atomistic Molecular Dynamics simulations
  • [2012] Rheology of linear polyethylene melts from atomistic Molecular Dynamics simulations
  • [2012] Understanding entangled polymers: What we can learn from athermal
  • [2011] Rheology of linear monodisperse polyethylene melts from atomistic Molecular Dynamics simulations
  • [2011] Scaling dependence of topological hindrance on concentration: Entanglements and knots in model polymer systems?
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• Premios
  • [2018] Paper: [J. Benito, N. C. Karayiannis and M. Laso, Confined Polymers as Self-Avoiding Random Walks on Restricted Lattices Polymers 10, 1394 (2018)] selected as The Excellent Paper. for the Journal Polymers of MDPI (period: Q4 of 2018).
• Proyectos de I+D+i
  • [2019] GANQUBIT: Nanohilos basados en GaN para sistemas de información cuántica y circuitos digitales
  • [2016] NAFCA: Fabricación en nanoescala por autoensamblaje de copolímeros
  • [2013] Hierarchical modelling of biosensors. Subprograma de Proyectos de Investigacion Fundamental no Orientada
  • [2013] Hierarchical modelling of biosensors. Subprograma de Proyectos de Investigacion Fundamental no Orientada
  • [2012] Desarrollo de recursos de autoaprendizaje y nuevas estrategias metodológicas en las asignaturas del área de Mecánica de Fluidos y Máquinas Hidráulicas para su adaptación al Espacio Europeo de Educación Superior (EEES) Type of Project: Ayudas a la Innovación Educativa y la mejora de la calidad de enseñanza; Funding agency: UPM; PI: Javier Garcia Garcia; Participants: J. Garcia, E. Migoya, J. L. Prieto, J. Muñoz, N. Karayiannis, K. Foteinopoulou.
  • [2012] Desarrollo de recursos de autoaprendizaje y nuevas estrategias metodológicas en las asignaturas del área de Mecánica de Fluidos y Máquinas Hidráulicas para su adaptación al Espacio Europeo de Educación Superior (EEES) Type of Project: Ayudas a la Innovación Educativa y la mejora de la calidad de enseñanza; Funding agency: UPM; PI: Javier Garcia Garcia; Participants: J. Garcia, E. Migoya, J. L. Prieto, J. Muñoz, N. Karayiannis, K. Foteinopoulou.
  • [2012] Hierarchical Modelling of Biosensors
  • [2012] Hierarchical modelling of biosensors.Subprograma de Proyectos de Investigacion Fundamental no Orientada.Project Code: MAT2010-15482; OTT code number C10053502 P.I.: Jorge Ramirez; Participants: J. Ramirez, N. C. Karayiannis; Funding Agency: Ministerio de Ciencia e Innovación (MICINN)
  • [2012] Hierarchical modelling of biosensors.Subprograma de Proyectos de Investigacion Fundamental no Orientada.Project Code: MAT2010-15482; OTT code number C10053502 P.I.: Jorge Ramirez; Participants: J. Ramirez, N. C. Karayiannis; Funding Agency: Ministerio de Ciencia e Innovación (MICINN)
  • [2012] Modelling of synthetic and biological macromolecules through hierarchical and multiscale simulation methods
  • [2011] Hierarchical modelling of biosensors.- Referencia: MAT2010-15482
  • [2011] Massively-Parallel Atomistic Molecular Dynamics Simulations for the Calculation of the Stress Relaxation in Polyethylene Melts
  • [2011] Modelling of synthetic and biological macromolecules through hierarchical and multiscale simulation methods
  • [2009] SUBVENCION DEL PROGRAMA RAMON Y CAJAL. AYUDA PARA LA CONTRATACION
  • [2007] "Ayudas para apoyar las líneas de I+D en el programa de creación y consolidación de grupos de investigación de la Universidad Politécnica de Madrid. CAM, Referencia: CCG07-UPM/000-3220"
  • [2007] "Designing dyes and pigments for inkjet technology breakthrough (DEDYPINK)" EA-2006-32
  • [2007] "Multiscale Modeling of Nanostructured Interfaces for Biological Sensors (MNIBS)"
  • [2007] "Multiscale Modeling of Nanostructured Interfaces for Biological Sensors (MNIBS)". MAT2005-25569-E/
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• Responsabilidades
  • [2017] Member of the Technical Program Committee: 3rd Annual International Workshop on Material Science and Engineering (Guangzhou, China, September 8-10, 2017). http://www.iwmse2017.org/?op=committee
  • [2017] Modeling of polymer-based systems in the bulk and at complex interfaces using advanced simulation methods (n984), Centro de Supercomputación y Visualización de Madrid (CeSViMa), UPM, Madrid (computational project, awarded time > 300,000 CPU hours).
  • [2017] Nanoscale fabrication through copolymer self-assembly (p208), Centro de Supercomputación y Visualización de Madrid (CeSViMa), UPM, Madrid (computational project, awarded time > 300,000 CPU hours).
  • [2017] Reviewer for the scientific conference: 6th Global Conference on Materials Science and Engineering (Beijing, China, October 24th-27th 2017).
  • [2017] Reviewer for the scientific journals: AIP Advances, Physical Review Letters, Physical Review E and Physical Review Applied.
  • [2015] Board of Directors ? Polyhub network (Engineering Virtual Organization, NSF)
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