| Martini 3: a general purpose force field for coarse-grained molecular dynamics PCT Souza, R Alessandri, J Barnoud, S Thallmair, I Faustino, ... Nature methods 18 (4), 382-388, 2021 | 1736 | 2021 |
| Enhancing molecular n‐type doping of donor–acceptor copolymers by tailoring side chains J Liu, L Qiu, R Alessandri, X Qiu, G Portale, JJ Dong, W Talsma, G Ye, ... Advanced Materials 30 (7), 1704630, 2018 | 368 | 2018 |
| Two decades of Martini: Better beads, broader scope SJ Marrink, L Monticelli, MN Melo, R Alessandri, DP Tieleman, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (1), e1620, 2023 | 329 | 2023 |
| Pitfalls of the Martini model R Alessandri, PCT Souza, S Thallmair, MN Melo, AH De Vries, SJ Marrink Journal of chemical theory and computation 15 (10), 5448, 2019 | 285 | 2019 |
| Protein–ligand binding with the coarse-grained Martini model PCT Souza, S Thallmair, P Conflitti, C Ramírez-Palacios, R Alessandri, ... Nature communications 11 (1), 3714, 2020 | 263 | 2020 |
| Martini 3 coarse‐grained force field: Small molecules R Alessandri, J Barnoud, AS Gertsen, I Patmanidis, AH De Vries, ... Advanced Theory and Simulations 5 (1), 2100391, 2022 | 232 | 2022 |
| N-type organic thermoelectrics: demonstration of ZT > 0.3 J Liu, B van der Zee, R Alessandri, S Sami, J Dong, MI Nugraha, ... Nature communications 11 (1), 5694, 2020 | 218 | 2020 |
| Bulk heterojunction morphologies with atomistic resolution from coarse-grain solvent evaporation simulations R Alessandri, JJ Uusitalo, AH De Vries, RWA Havenith, SJ Marrink Journal of the American Chemical Society 139 (10), 3697, 2017 | 205 | 2017 |
| High-efficiency stretchable light-emitting polymers from thermally activated delayed fluorescence W Liu, C Zhang, R Alessandri, BT Diroll, Y Li, H Liang, X Fan, K Wang, ... Nature Materials 22 (6), 737-745, 2023 | 204 | 2023 |
| Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials F Grünewald, R Alessandri, PC Kroon, L Monticelli, PCT Souza, ... Nature communications 13 (1), 68, 2022 | 201 | 2022 |
| The martini model in materials science R Alessandri, F Grünewald, SJ Marrink Advanced Materials 33 (24), 2008635, 2021 | 143 | 2021 |
| Enhancing doping efficiency by improving host-dopant miscibility for fullerene-based n-type thermoelectrics L Qiu, J Liu, R Alessandri, X Qiu, M Koopmans, RWA Havenith, ... Journal of Materials Chemistry A 5 (40), 21234-21241, 2017 | 111 | 2017 |
| Resolving donor–acceptor interfaces and charge carrier energy levels of organic semiconductors with polar side chains R Alessandri, S Sami, J Barnoud, AH de Vries, SJ Marrink, RWA Havenith Advanced Functional Materials 30 (46), 2004799, 2020 | 45 | 2020 |
| Can the dielectric constant of fullerene derivatives be enhanced by side-chain manipulation? A predictive first-principles computational study S Sami, PAB Haase, R Alessandri, R Broer, RWA Havenith The Journal of Physical chemistry. A 122 (15), 3919, 2018 | 42 | 2018 |
| How ethylene glycol chains enhance the dielectric constant of organic semiconductors: molecular origin and frequency dependence S Sami, R Alessandri, R Broer, RWA Havenith ACS applied materials & interfaces 12 (15), 17783-17789, 2020 | 41 | 2020 |
| Crystal field in rare‐earth complexes: From electrostatics to bonding R Alessandri, H Zulfikri, J Autschbach, H Bolvin Chemistry-A European Journal, 2018 | 40 | 2018 |
| Multiscale modeling of molecular structure and optical properties of complex supramolecular aggregates AS Bondarenko, I Patmanidis, R Alessandri, PCT Souza, TLC Jansen, ... Chemical Science 11 (42), 11514-11524, 2020 | 37 | 2020 |
| Strategies for enhancing the dielectric constant of organic materials S Sami, R Alessandri, JB W Wijaya, F Grunewald, AH De Vries, ... The Journal of Physical Chemistry C 126 (45), 19462-19469, 2022 | 29 | 2022 |
| Molecular versus excitonic disorder in individual artificial light-harvesting systems B Kriete, AS Bondarenko, R Alessandri, I Patmanidis, VV Krasnikov, ... Journal of the American Chemical Society 142 (42), 18073-18085, 2020 | 26 | 2020 |
| Bartender: Martini 3 Bonded Terms via Quantum Mechanics-Based Molecular Dynamics GP Pereira, R Alessandri, M Domínguez, R Araya-Osorio, L Grünewald, ... Journal of Chemical Theory and Computation, 2024 | 24 | 2024 |
Siewert J. MarrinkProfessor of Molecular Dynamics, University of GroningenVerified email at rug.nl
