Marcello Sega

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Christian HolmProfessor für Physik, Institut für Computerphysik, Universität StuttgartVerified email at icp.uni-stuttgart.de
Francesco PederivaUniversity of Trento, Physics Department, and INFN-TIFPAVerified email at unitn.it
Balázs FábiánInstitute of Organic Chemistry and Biochemistry AS CRVerified email at uochb.cas.cz
Sofia KantorovichGroup Leader, University of Vienna; Associate Professor, Ural Federal University.Verified email at univie.ac.at
Henri OrlandInstitut de Physique Théorique, CEA-SaclayVerified email at cea.fr
Pietro FaccioliTrento University and INFN-TIFPAVerified email at unitn.it
Gyorgy HantalUniversity of Natural Resources (BOKU) ViennaVerified email at boku.ac.at
Livia B. PartayAssistant Professor, University of WarwickVerified email at warwick.ac.uk
Giovanni GarberoglioECT*, Fondazione Bruno Kessler, Trento (Italy)Verified email at ectstar.eu
Jens SmiatekForschungszentrum Jülich IEK-12 Helmholtz Institute MuensterVerified email at icp.uni-stuttgart.de
Baofu QiaoNorthwestern UniversityVerified email at northwestern.edu
Christian SchröderUniversity of ViennaVerified email at mdy.univie.ac.at
Mauro SbragagliaDepartment of Physics, University of Rome 'Tor Vergata'Verified email at roma2.infn.it
Sauro SucciIIT@La Sapienza and Research Affiliate Physics Dep. Harvard UniversityVerified email at iac.cnr.it
Simone Melchionna, PhD" "Verified email at roma1.infn.it
Maria DarvasPost-doctoral research Fellow,University of PortoVerified email at sissa.it
Mehmet SuzenMInstPVerified email at acm.org
Graziano GuellaUniversity of TrentoVerified email at unitn.it
Axel ArnoldUniversity of StuttgartVerified email at icp.uni-stuttgart.de
Christoph DellagoProfessor of Computational Physics, University of ViennaVerified email at univie.ac.at

Marcello Sega

Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Forschungszentrum Jülich

Verified email at fz-juelich.de - Homepage

Chemical Physics Soft Matter Biophysics Interfaces


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Dominant pathways in protein folding P Faccioli, M Sega, F Pederiva, H Orland Physical review letters 97 (10), 108101, 2006	158	2006
Molecular aggregates in aqueous solutions of bile acid salts. Molecular dynamics simulation study LB Pártay, P Jedlovszky, M Sega The Journal of Physical Chemistry B 111 (33), 9886-9896, 2007	120	2007
An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries S Tyagi, M Süzen, M Sega, M Barbosa, SS Kantorovich, C Holm The Journal of chemical physics 132 (15), 154112, 2010	81	2010
Morphology of bile salt micelles as studied by computer simulation methods LB Pártay, M Sega, P Jedlovszky Langmuir 23 (24), 12322-12328, 2007	80	2007
Quantitative protein dynamics from dominant folding pathways M Sega, P Faccioli, F Pederiva, G Garberoglio, H Orland Physical review letters 99 (11), 118102, 2007	80	2007
The generalized identification of truly interfacial molecules (ITIM) algorithm for nonplanar interfaces M Sega, SS Kantorovich, P Jedlovszky, M Jorge The Journal of chemical physics 138 (4), 044110, 2013	66	2013
Electrophoretic mobility and charge inversion of a colloidal particle studied by single-colloid electrophoresis and molecular dynamics simulations I Semenov, S Raafatnia, M Sega, V Lobaskin, C Holm, F Kremer Physical Review E 87 (2), 022302, 2013	61	2013
Puckering free energy of pyranoses: A NMR and metadynamics-umbrella sampling investigation E Autieri, M Sega, F Pederiva, G Guella The Journal of chemical physics 133 (9), 09B604, 2010	50	2010
Mesoscopic simulations of the counterion-induced electro-osmotic flow: A comparative study J Smiatek, M Sega, C Holm, UD Schiller, F Schmid The Journal of chemical physics 130 (24), 244702, 2009	49	2009
Dominant reaction pathways in high-dimensional systems E Autieri, P Faccioli, M Sega, F Pederiva, H Orland The Journal of chemical physics 130 (6), 064106, 2009	45	2009
Diffusion of water in confined geometry: The case of a multilamellar bilayer M Sega, R Vallauri, S Melchionna Physical Review E 72 (4), 041201, 2005	45	2005
Dielectric and terahertz spectroscopy of polarizable and nonpolarizable water models: A comparative study M Sega, C Schroder The Journal of Physical Chemistry A 119 (9), 1539-1547, 2015	41	2015
Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces M Sega, B Fábián, P Jedlovszky The Journal of chemical physics 143 (11), 114709, 2015	36	2015
Regularization of the slip length divergence in water nanoflows by inhomogeneities at the Angstrom scale M Sega, M Sbragaglia, L Biferale, S Succi Soft Matter 9 (35), 8526-8531, 2013	35	2013
Mesoscale structures at complex fluid–fluid interfaces: a novel lattice Boltzmann/molecular dynamics coupling M Sega, M Sbragaglia, SS Kantorovich, AO Ivanov Soft Matter 9 (42), 10092-10107, 2013	33	2013
Conformation and Dynamics of Poly(N-isopropyl acrylamide) Trimers in Water: A Molecular Dynamics and Metadynamics Simulation Study E Autieri, E Chiessi, A Lonardi, G Paradossi, M Sega The Journal of Physical Chemistry B 115 (19), 5827-5839, 2011	33	2011
How is the surface tension of various liquids distributed along the interface normal? M Sega, B Fábián, G Horvai, P Jedlovszky The Journal of Physical Chemistry C 120 (48), 27468-27477, 2016	32	2016
On the calculation of puckering free energy surfaces M Sega, E Autieri, F Pederiva The Journal of chemical physics 130 (22), 06B612, 2009	32	2009
Efficient handling of Gaussian charge distributions: An application to polarizable molecular models PT Kiss, M Sega, A Baranyai Journal of chemical theory and computation 10 (12), 5513-5519, 2014	29	2014
The effect of anaesthetics on the properties of a lipid membrane in the biologically relevant phase: a computer simulation study B Fábián, M Darvas, S Picaud, M Sega, P Jedlovszky Physical Chemistry Chemical Physics 17 (22), 14750-14760, 2015	28	2015

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