| Collective variables from local fluctuations D Mendels, GM Piccini, M Parrinello The journal of physical chemistry letters 9 (11), 2776-2781, 2018 | 165 | 2018 |
| Metadynamics with discriminants: A tool for understanding chemistry GM Piccini, D Mendels, M Parrinello Journal of chemical theory and computation 14 (10), 5040-5044, 2018 | 70 | 2018 |
| Folding a small protein using harmonic linear discriminant analysis D Mendels, G Piccini, ZF Brotzakis, YI Yang, M Parrinello The Journal of chemical physics 149 (19), 2018 | 53 | 2018 |
| Improving collective variables: The case of crystallization YY Zhang, H Niu, GM Piccini, D Mendels, M Parrinello The Journal of chemical physics 150 (9), 2019 | 52 | 2019 |
| Thermoelectricity in disordered organic semiconductors under the premise of the Gaussian disorder model and its variants D Mendels, N Tessler The Journal of Physical Chemistry Letters 5 (18), 3247-3253, 2014 | 50 | 2014 |
| Drift and diffusion in disordered organic semiconductors: the role of charge density and charge energy transport D Mendels, N Tessler The Journal of Physical Chemistry C 117 (7), 3287-3293, 2013 | 50 | 2013 |
| Solubility prediction of organic molecules with molecular dynamics simulations Z Bjelobrk, D Mendels, T Karmakar, M Parrinello, M Mazzotti Crystal Growth & Design 21 (9), 5198-5205, 2021 | 32 | 2021 |
| Blind search for complex chemical pathways using harmonic linear discriminant analysis V Rizzi, D Mendels, E Sicilia, M Parrinello Journal of chemical theory and computation 15 (8), 4507-4515, 2019 | 29 | 2019 |
| Searching for entropically stabilized phases: The case of silver iodide D Mendels, J McCarty, PM Piaggi, M Parrinello The Journal of Physical Chemistry C 122 (3), 1786-1790, 2018 | 18 | 2018 |
| A comprehensive study of the effects of chain morphology on the transport properties of amorphous polymer films D Mendels, N Tessler Scientific Reports 6 (1), 29092, 2016 | 16 | 2016 |
| The topology of hopping in the energy domain of systems with rapidly decaying density of states D Mendels, N Tessler The Journal of Physical Chemistry C 117 (47), 24740-24745, 2013 | 15 | 2013 |
| Field dependent thermoelectric properties of organic semiconductors--A tool to determine the nature of charge transport in materials exhibiting thermally activated transport D Mendels, N Tessler Journal of Applied Physics 117, 105502, 2015 | 10 | 2015 |
| Collective Variables for Free Energy Surface Tailoring: Understanding and Modifying Functionality in Systems Dominated by Rare Events D Mendels, JJ de Pablo J. Phys. Chem. Lett., 2830–2837, 2022 | 9 | 2022 |
| Solubility of Organic Salts in Solvent–Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach Z Bjelobrk, AK Rajagopalan, D Mendels, T Karmakar, M Parrinello, ... Journal of Chemical Theory and Computation 18 (8), 4952-4959, 2022 | 7 | 2022 |
| Rigorous analysis of image force barrier lowering in bounded geometries: application to semiconducting nanowires Y Calahorra, D Mendels, A Epstein Nanotechnology 25 (14), 145203, 2014 | 7 | 2014 |
| Augmented harmonic linear discriminant analysis ZF Brotzakis, D Mendels, M Parrinello arXiv preprint arXiv:1902.08854, 2019 | 4 | 2019 |
| Development of Masitinib Derivatives with Enhanced Mpro Ligand Efficiency and Reduced Cytotoxicity CA Menendez, A Mohamed, GR Perez-Lemus, AM Weiss, BW Rawe, ... Molecules 28 (18), 6643, 2023 | 2 | 2023 |
| Systematic modification of functionality in disordered elastic networks through free energy surface tailoring D Mendels, F Byléhn, TW Sirk, JJ de Pablo Science Advances 9 (23), eadf7541, 2023 | 2 | 2023 |
| Path collective variables without paths D Mendels, GM Piccini, M Parrinello arXiv preprint arXiv:1803.03076, 2018 | 1 | 2018 |
| Finding Efficient Collective Variables: The Case of Crystallization YY Zhang, H Niu, GM Piccini, D Mendels, M Parrinello arXiv preprint arXiv:1809.04903, 2018 | | 2018 |
michele parrinelloDepartment of ChemistryVerificeret mail på phys.chem.ethz.ch