Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations AF Behbahani, L Schneider, A Rissanou, A Chazirakis, P Bacova, ... Macromolecules 54 (6), 2740-2762, 2021 | 50 | 2021 |
Multi-architecture Monte-Carlo (MC) simulation of soft coarse-grained polymeric materials: SOft coarse grained Monte-Carlo Acceleration (SOMA) L Schneider, M Müller Computer Physics Communications 235, 463-476, 2019 | 48 | 2019 |
A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation A Ramírez-Hernández, BL Peters, L Schneider, M Andreev, JD Schieber, ... The Journal of chemical physics 146 (1), 2017 | 37 | 2017 |
Transitions between lamellar orientations in shear flow L Schneider, M Heck, M Wilhelm, M Müller Macromolecules 51 (12), 4642-4659, 2018 | 26 | 2018 |
A detailed examination of the topological constraints of lamellae-forming block copolymers A Ramírez-Hernández, BL Peters, L Schneider, M Andreev, JD Schieber, ... Macromolecules 51 (5), 2110-2124, 2018 | 25 | 2018 |
Community Resource for Innovation in Polymer Technology (CRIPT): A Scalable Polymer Material Data Structure DJ Walsh, W Zou, L Schneider, R Mello, ME Deagen, J Mysona, TS Lin, ... ACS Central Science 9 (3), 330-338, 2023 | 24 | 2023 |
Diblock copolymers with similar glass transition temperatures in both blocks for comparing shear orientation processes with DPD computer simulations M Heck, L Schneider, M Müller, M Wilhelm Macromolecular Chemistry and Physics 219 (9), 1700559, 2018 | 17 | 2018 |
Dynamics of Long Entangled Polyisoprene Melts via Multiscale Modeling W Li, PK Jana, AF Behbahani, G Kritikos, L Schneider, P Polinska, ... Macromolecules 54 (18), 8693-8713, 2021 | 15 | 2021 |
Combining particle-based simulations and machine learning to understand defect kinetics in thin films of symmetric diblock copolymers L Schneider, JJ de Pablo Macromolecules 54 (21), 10074-10085, 2021 | 13 | 2021 |
Rheology of symmetric diblock copolymers L Schneider, M Müller Computational Materials Science 169, 109107, 2019 | 13 | 2019 |
Engineering scale simulation of nonequilibrium network phases for battery electrolytes LY Schneider, M Müller Macromolecules 52 (5), 2050-2062, 2019 | 13 | 2019 |
Mesoscopic simulations of crosslinked polymer networks G Megariotis, GG Vogiatzis, L Schneider, M Müller, DN Theodorou Journal of Physics: Conference Series 738 (1), 012063, 2016 | 13 | 2016 |
Simulation of solvent evaporation from a diblock copolymer film: Orientation of the cylindrical mesophase O Dreyer, G Ibbeken, L Schneider, N Blagojevic, M Radjabian, V Abetz, ... Macromolecules 55 (17), 7564-7582, 2022 | 11 | 2022 |
Molecular simulations and hydrodynamic theory of nonlocal shear-stress correlations in supercooled fluids D Steffen, L Schneider, M Müller, J Rottler The Journal of Chemical Physics 157 (6), 2022 | 9 | 2022 |
Generative BigSMILES: an extension for polymer informatics, computer simulations & ML/AI L Schneider, D Walsh, B Olsen, J de Pablo Digital Discovery 3 (1), 51-61, 2024 | 7 | 2024 |
In silico active learning for small molecule properties L Schneider, M Schwarting, J Mysona, H Liang, M Han, PM Rauscher, ... Molecular Systems Design & Engineering 7 (12), 1611-1621, 2022 | 7 | 2022 |
PySAGES: Flexible, advanced sampling methods accelerated with GPUs PF Zubieta Rico, L Schneider, GR Pérez-Lemus, R Alessandri, S Dasetty, ... npj Computational Materials 10 (1), 35, 2024 | 6 | 2024 |
Symmetric diblock copolymers in cylindrical confinement: A way to chiral morphologies? L Schneider, G Lichtenberg, D Vega, M Müller ACS Applied Materials & Interfaces 12 (44), 50077-50095, 2020 | 4 | 2020 |
CRIPT: A Scalable Polymer Material Data Structure D Walsh, W Zou, L Schneider, R Mello, M Deagen, J Mysona, TS Lin, ... | 3 | 2022 |
Effect of Slip-Spring Parameters on the Dynamics and Rheology of Soft, Coarse-Grained Polymer Models KU Hollborn, L Schneider, M Müller The Journal of Physical Chemistry B 126 (35), 6725-6739, 2022 | 3 | 2022 |