Molecular simulation of thermoplastic polyurethanes under large tensile deformation S Zhu, N Lempesis, PJ in ‘t Veld, GC Rutledge Macromolecules 51 (5), 1850-1864, 2018 | 50 | 2018 |
Atomistic simulation of the structure and mechanics of a semicrystalline polyether N Lempesis, PJ in ‘t Veld, GC Rutledge Macromolecules 49 (15), 5714-5726, 2016 | 37 | 2016 |
Atomistic simulation of a thermoplastic polyurethane and micromechanical modeling N Lempesis, PJ in ‘t Veld, GC Rutledge Macromolecules 50 (18), 7399-7409, 2017 | 34 | 2017 |
Tracking a glassy polymer on its energy landscape in the course of elastic deformation N Lempesis, GG Vogiatzis, GC Boulougouris, LCA van Breemen, M Hütter, ... Molecular Physics 111 (22-23), 3430-3441, 2013 | 27 | 2013 |
On the role of inherent structures in glass-forming materials: I. The vitrification process DG Tsalikis, N Lempesis, GC Boulougouris, DN Theodorou The Journal of Physical Chemistry B 112 (34), 10619-10627, 2008 | 27 | 2008 |
Simulation of the structure and mechanics of crystalline 4, 4′-diphenylmethane diisocyanate (MDI) with n-butanediol (BDO) as chain extender N Lempesis, GC Rutledge Polymer 107, 233-239, 2016 | 25 | 2016 |
Low-loss contacts on textured substrates for inverted perovskite solar cells SM Park, M Wei, N Lempesis, W Yu, T Hossain, L Agosta, V Carnevali, ... Nature 624 (7991), 289-294, 2023 | 24 | 2023 |
Molecular simulation of thermoplastic polyurethanes under large compressive deformation S Zhu, N Lempesis, PJ in ‘t Veld, GC Rutledge Macromolecules 51 (22), 9306-9316, 2018 | 24 | 2018 |
PJ in ‘t Veld, GC Rutledge S Zhu, N Lempesis Macromolecules 51 (22), 9306-9316, 2018 | 20 | 2018 |
Lumping analysis for the prediction of long-time dynamics: From monomolecular reaction systems to inherent structure dynamics of glassy materials N Lempesis, DG Tsalikis, GC Boulougouris, DN Theodorou The Journal of chemical physics 135 (20), 2011 | 17 | 2011 |
Efficient parallel decomposition of dynamical sampling in glass-forming materials based on an “on the fly” definition of metabasins DG Tsalikis, N Lempesis, GC Boulougouris, DN Theodorou Journal of Chemical Theory and Computation 6 (4), 1307-1322, 2010 | 17 | 2010 |
Temperature accelerated dynamics in glass-forming materials DG Tsalikis, N Lempesis, GC Boulougouris, DN Theodorou The Journal of Physical Chemistry B 114 (23), 7844-7853, 2010 | 14 | 2010 |
On the role of inherent structures in glass-forming materials: II. Reconstruction of the mean square displacement by rigorous lifting of the inherent structure dynamics D Tsalikis, N Lempesis, GC Boulougouris, DN Theodorou The Journal of Physical Chemistry B 112 (34), 10628-10637, 2008 | 14 | 2008 |
Temporal disconnectivity of the energy landscape in glassy systems N Lempesis, GC Boulougouris, DN Theodorou The Journal of Chemical Physics 138 (12), 2013 | 11 | 2013 |
Cooperative passivation of perovskite solar cells by alkyldimethylammonium halide amphiphiles EA Alharbi, A Krishna, N Lempesis, M Dankl, I Mosquera-Lois, MA Hope, ... Joule 7 (1), 183-200, 2023 | 7 | 2023 |
Tracking the dynamics of systems evolving through infrequent transitions in a network of discrete states DN Theodorou, N Lempesis, GC Boulougouris Hierarchical Methods for Dynamics in Complex Molecular Systems 10, 347, 2012 | 6 | 2012 |
Predicting bio-inspired candidate surfaces with superomniphobic characteristics N Lempesis, A Janka, O Gnatiuk, SJL van Eijndhoven, RJ Koopmans Surface Topography: Metrology and Properties 8 (2), 025021, 2020 | 5 | 2020 |
Pressure-and temperature-induced monoclinic-to-orthorhombic phase transition in silicalite-1 N Lempesis, N Smatsi, VG Mavrantzas, SE Pratsinis The Journal of Physical Chemistry C 122 (11), 6217-6229, 2018 | 5 | 2018 |
Buried‐Interface Engineering Enables Efficient and 1960‐Hour ISOS‐L‐2I Stable Inverted Perovskite Solar Cells L Li, M Wei, V Carnevali, H Zeng, M Zeng, R Liu, N Lempesis, ... Advanced Materials 36 (13), 2303869, 2024 | 2 | 2024 |
In-situ buried interface passivation enables efficient and stable inverted perovskite solar modules V Carnevali, L Lin, M Wei, N Lempesis, L Agosta, M Dankl, M Graetzel, ... APS March Meeting Abstracts 2023, D45. 005, 2023 | | 2023 |