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Journal of Chemical Theory and Computation|October 23, 2025
Elastic Properties of Defective 2D Polymers from Regression Driven Coarse-GrainingDavid Bodesheim, Alexander Croy, Gianaurelio CunibertiPhysical Chemistry Chemical Physics : PCCP|October 25, 2019
Stabilization of aqueous graphene dispersions utilizing a biocompatible dispersant: a molecular dynamics studyShirong Huang, Alexander Croy, Viktor Bezugly, et al.Nanoscale|January 4, 2021
Predicting the bulk modulus of single-layer covalent organic frameworks with square-lattice topology from molecular building-block propertiesAntonios Raptakis, Arezoo Dianat, Alexander Croy, et al.Nanoscale|October 13, 2025
Charge carrier mobilities in γ-graphynes: a computational approachElif Unsal, Alessandro Pecchia, Alexander Croy, et al.RSC Advances|April 28, 2022
Exploring the similarity of single-layer covalent organic frameworks using electronic structure calculationsAntonios Raptakis, Alexander Croy, Arezoo Dianat, et al.Brain Sciences|April 30, 2021
Olfactory Perception in Relation to the Physicochemical Odor SpaceAntonie Louise Bierling, Ilona Croy, Thomas Hummel, et al.Entropy (Basel, Switzerland)|December 3, 2020
Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green's Function TechniquesLeonardo Medrano Sandonas, Rafael Gutierrez, Alessandro Pecchia, et al.Beilstein Journal of Nanotechnology|January 21, 2022
Effect of lubricants on the rotational transmission between solid-state gearsHuang-Hsiang Lin, Jonathan Heinze, Alexander Croy, et al.Journal of Cheminformatics|May 29, 2026
Towards the design of artificial sensing materials via quantum-informed explainable AILi Chen, Leonardo Medrano Sandonas, Shirong Huang, et al.Nanomaterials (Basel, Switzerland)|November 26, 2024
Computational Design of the Electronic Response for Volatile Organic Compounds Interacting with Doped Graphene SubstratesLi Chen, David Bodesheim, Ahmad Ranjbar, et al.Pageof 26