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Journal of Chemical Information and Modeling|July 9, 2025
MYTHOS: A Python Interface for Surface Crystal Structure Prediction of Organic SemiconductorsEmilio Lorini, Karsten Walzer, Martin Pfeiffer, et al.Small Science|May 18, 2026
On the Design of Steep Optical Absorbers for Vacuum-Processed Organic Solar Cells: One Isopropyl Group Makes the DifferenceMohamed El Habib Bouajhine, Emilio Lorini, Samuele Giannini, et al.Nature Chemistry|January 28, 2026
Wavelength-steered directional rotation in an autonomous light-driven molecular motorFederico Nicoli, Chiara Taticchi, Emilio Lorini, et al.Advanced Materials (Deerfield Beach, Fla.)|September 23, 2014
A-D-A-type S,N-heteropentacenes: next-generation molecular donor materials for efficient vacuum-processed organic solar cellsAmaresh Mishra, Dusko Popovic, Astrid Vogt, et al.Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|March 28, 2022
Sampling effects in quantum mechanical/molecular mechanics trajectory surface hopping non-adiabatic dynamicsDavide Avagliano, Emilio Lorini, Leticia GonzálezPhysical Review Letters|June 24, 2023
Power-Law Density of States in Organic Solar Cells Revealed by the Open-Circuit Voltage Dependence of the Ideality FactorMaria Saladina, Christopher Wöpke, Clemens Göhler, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 17, 2014
Quinquephenyl: the simplest rigid-rod-like nematic liquid crystal, or is it? An atomistic simulationYoann Olivier, Luca Muccioli, Claudio ZannoniThe Journal of Chemical Physics|January 22, 2008
Field response and switching times in biaxial nematicsRoberto Berardi, Luca Muccioli, Claudio ZannoniACS Applied Materials & Interfaces|March 14, 2017
Predicting the Conditions for Homeotropic Anchoring of Liquid Crystals at a Soft Surface. 4-n-Pentyl-4'-cyanobiphenyl on Alkylsilane Self-Assembled MonolayersOtello Maria Roscioni, Luca Muccioli, Claudio ZannoniPhysical Chemistry Chemical Physics : PCCP|September 18, 2015
Molecular organization in freely suspended nano-thick 8CB smectic films. An atomistic simulationMattia Felice Palermo, Luca Muccioli, Claudio ZannoniPageof 12