Alessandro Troisi

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 56

Top Topics

Carbon Nanotubes

Machine Learning

Molecular Dynamics

Perovskite Solar Cells

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Journal of materials chemistry. C

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Colm Burke, Hesam Makki, Alessandro Troisi
From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery. Journal of chemical theory and computation 20 (9) (2024)
Colm Burke, Alessandro Landi, Alessandro Troisi
The dynamic nature of electrostatic disorder in organic mixed ionic and electronic conductors. Materials horizons (2024)
Chang-Chun Ding, Xiaoyu Xie, Linjiang Chen, Alessandro Troisi
Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents. Journal of chemical theory and computation 20 (3) (2024)
Chang-Chun Ding, Xiaoyu Xie, Linjiang Chen, Alessandro Troisi
Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents. Journal of chemical theory and computation (2024)
Colm Burke, Alessandro Landi, Alessandro Troisi
The dynamic nature of electrostatic disorder in organic mixed ionic and electronic conductors. Materials horizons (2024)
Chang-Chun Ding, Xiaoyu Xie, Linjiang Chen, Alessandro Troisi
Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents. Journal of chemical theory and computation 20 (3) (2024)
Colm Burke, Hesam Makki, Alessandro Troisi
From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery. Journal of chemical theory and computation 20 (9) (2024)
Abraham Colin-Molina, Tahereh Nematiaram, Andy Man Hong Cheung, Alessandro Troisi, C Daniel Frisbie
The Conductance Isotope Effect in Oligophenylene Imine Molecular Wires Depends on the Number and Spacing of 13 C-Labeled Phenylene Rings. ACS nano (2024)
Lois Smith, Hossein Ali Karimi-Varzaneh, Sebastian Finger, Giuliana Giunta, Alessandro Troisi, Paola Carbone
Framework for a High-Throughput Screening Method to Assess Polymer/Plasticizer Miscibility: The Case of Hydrocarbons in Polyolefins. Macromolecules 57 (10) (2024)
Chang-Chun Ding, Xiaoyu Xie, Linjiang Chen, Alessandro Troisi
Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents. Journal of chemical theory and computation 20 (3) (2024)
Marco Villa, Andrea Fermi, Francesco Calogero, Xia Wu, Andrea Gualandi, Pier Giorgio Cozzi, Alessandro Troisi, Barbara Ventura, Paola Ceroni
Organic super-reducing photocatalysts generate solvated electrons via two consecutive photon induced processes. Chemical science (2024)
Colm Burke, Hesam Makki, Alessandro Troisi
From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery. Journal of chemical theory and computation 20 (9) (2024)
Colm Burke, Alessandro Landi, Alessandro Troisi
The dynamic nature of electrostatic disorder in organic mixed ionic and electronic conductors. Materials horizons (2024)
Garrett Swain LeCroy, Raja Ghosh, Parker Sommerville, Colm Burke, Hesam Makki, Kalee Rozylowicz, Christina Cheng, Mark Weber, Wissem Khelifi, Natalie Stingelin, Alessandro Troisi, Christine K Luscombe, Frank C Spano, Alberto Salleo
Using Molecular Structure to Tune Intrachain and Interchain Charge Transport in Indacenodithiophene-Based Copolymers. Journal of the American Chemical Society (2024)
Marco Villa, Andrea Fermi, Francesco Calogero, Xia Wu, Andrea Gualandi, Pier Giorgio Cozzi, Alessandro Troisi, Barbara Ventura, Paola Ceroni
Organic super-reducing photocatalysts generate solvated electrons via two consecutive photon induced processes. Chemical science (2024)
Lois Smith, Hossein Ali Karimi-Varzaneh, Sebastian Finger, Giuliana Giunta, Alessandro Troisi, Paola Carbone
Framework for a High-Throughput Screening Method to Assess Polymer/Plasticizer Miscibility: The Case of Hydrocarbons in Polyolefins. Macromolecules 57 (10) (2024)
Garrett Swain LeCroy, Raja Ghosh, Parker Sommerville, Colm Burke, Hesam Makki, Kalee Rozylowicz, Christina Cheng, Mark Weber, Wissem Khelifi, Natalie Stingelin, Alessandro Troisi, Christine K Luscombe, Frank C Spano, Alberto Salleo
Using Molecular Structure to Tune Intrachain and Interchain Charge Transport in Indacenodithiophene-Based Copolymers. Journal of the American Chemical Society 146 (31) (2024)
Abraham Colin-Molina, Tahereh Nematiaram, Andy Man Hong Cheung, Alessandro Troisi, C Daniel Frisbie
The Conductance Isotope Effect in Oligophenylene Imine Molecular Wires Depends on the Number and Spacing of 13 C-Labeled Phenylene Rings. ACS nano 18 (10) (2024)
Colm Burke, Hesam Makki, Alessandro Troisi
From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery. Journal of chemical theory and computation (2024)
Alessandro Landi, Maryam Reisjalali, Joshua D Elliott, Micaela Matta, Paola Carbone, Alessandro Troisi
Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model. Journal of materials chemistry. C 11 (24) (2023)
Xiaoyu Xie, Alessandro Troisi
Identification via Virtual Screening of Emissive Molecules with a Small Exciton-Vibration Coupling for High Color Purity and Potential Large Exciton Delocalization. The journal of physical chemistry letters 14 (17) (2023)
Xiaoyu Xie, Alessandro Troisi
Identification via Virtual Screening of Emissive Molecules with a Small Exciton-Vibration Coupling for High Color Purity and Potential Large Exciton Delocalization. The journal of physical chemistry letters (2023)
Zikai Xie, Xenophon Evangelopoulos, Ömer H Omar, Alessandro Troisi, Andrew I Cooper, Linjiang Chen
Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules. Chemical science 15 (2) (2023)
Alessandro Landi, Maryam Reisjalali, Joshua D Elliott, Micaela Matta, Paola Carbone, Alessandro Troisi
Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model. Journal of materials chemistry. C 11 (24) (2023)
Ömer H Omar, Xiaoyu Xie, Alessandro Troisi, Daniele Padula
Identification of Unknown Inverted Singlet-Triplet Cores by High-Throughput Virtual Screening. Journal of the American Chemical Society (2023)
Zikai Xie, Xenophon Evangelopoulos, Ömer H Omar, Alessandro Troisi, Andrew I Cooper, Linjiang Chen
Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules. Chemical science 15 (2) (2023)
Xiaoyu Xie, Alessandro Troisi
Identification via Virtual Screening of Emissive Molecules with a Small Exciton-Vibration Coupling for High Color Purity and Potential Large Exciton Delocalization. The journal of physical chemistry letters 14 (17) (2023)
Hesam Makki, Colm A Burke, Alessandro Troisi
Microstructural Model of Indacenodithiophene- co -benzothiadiazole Polymer: π-Crossing Interactions and Their Potential Impact on Charge Transport. The journal of physical chemistry letters (2023)
Xiaoyu Xie, Alessandro Troisi
Identification via Virtual Screening of Emissive Molecules with a Small Exciton-Vibration Coupling for High Color Purity and Potential Large Exciton Delocalization. The journal of physical chemistry letters 14 (17) (2023)
Daniel Vong, Tahereh Nemati Aram, Makena A Dettmann, Tucker L Murrey, Lucas S R Cavalcante, Sadi M Gurses, Dhanya Radhakrishnan, Luke L Daemen, John E Anthony, Kristie J Koski, Coleman X Kronawitter, Alessandro Troisi, Adam J Moulé
Quantitative Hole Mobility Simulation and Validation in Substituted Acenes. The journal of physical chemistry letters 13 (24) (2022)
Hesam Makki, Alessandro Troisi
Morphology of conducting polymer blends at the interface of conducting and insulating phases: insight from PEDOT:PSS atomistic simulations. Journal of materials chemistry. C 10 (42) (2022)
Tahereh Nemati Aram, Alessandro Troisi
Feasibility of p-Doped Molecular Crystals as Transparent Conductive Electrodes via Virtual Screening. Chemistry of materials : a publication of the American Chemical Society 34 (9) (2022)
Marcos Del Cueto, Charles Rawski-Furman, Juan Aragó, Enrique Ortí, Alessandro Troisi
Data-Driven Analysis of Hole-Transporting Materials for Perovskite Solar Cells Performance. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (31) (2022)
Rex Manurung, Alessandro Troisi
Screening semiconducting polymers to discover design principles for tuning charge carrier mobility. Journal of materials chemistry. C 10 (38) (2022)
Scott Tom Keene, Wesley Michaels, Armantas Melianas, Tyler James Quill, Elliot J Fuller, Alexander Giovannitti, Iain McCulloch, A Alec Talin, Christopher J Tassone, Jian Qin, Alessandro Troisi, Alberto Salleo
Efficient Electronic Tunneling Governs Transport in Conducting Polymer-Insulator Blends. Journal of the American Chemical Society 144 (23) (2022)
Zhi-Wen Zhao, Marcos Del Cueto, Alessandro Troisi
Limitations of machine learning models when predicting compounds with completely new chemistries: possible improvements applied to the discovery of new non-fullerene acceptors. Digital discovery 1 (3) (2022)
Maryam Reisjalali, Rex Manurung, Paola Carbone, Alessandro Troisi
Development of hybrid coarse-grained atomistic models for rapid assessment of local structuring of polymeric semiconductors. Molecular systems design & engineering 7 (3) (2022)
Ömer H Omar, Marcos Del Cueto, Tahereh Nemati Aram, Alessandro Troisi
High-throughput virtual screening for organic electronics: a comparative study of alternative strategies. Journal of materials chemistry. C 9 (39) (2021)
Xiaoyu Xie, Alessandro Troisi
Evaluating the Electronic Structure of Coexisting Excitonic and Multiexcitonic States in Periodic Systems: Significance for Singlet Fission. Journal of chemical theory and computation 18 (1) (2021)
Tahereh Nemati Aram, Daniele Padula, Alessandro Troisi
Bright Frenkel Excitons in Molecular Crystals: A Survey. Chemistry of materials : a publication of the American Chemical Society 33 (9) (2021)
Maryam Reisjalali, J Javier Burgos-Mármol, Rex Manurung, Alessandro Troisi
Local structuring of diketopyrrolopyrrole (DPP)-based oligomers from molecular dynamics simulations. Physical chemistry chemical physics : PCCP 23 (35) (2021)
Zhi-Wen Zhao, Ömer H Omar, Daniele Padula, Yun Geng, Alessandro Troisi
Computational Identification of Novel Families of Nonfullerene Acceptors by Modification of Known Compounds. The journal of physical chemistry letters 12 (20) (2021)
Marcos Del Cueto, Alessandro Troisi
Determining usefulness of machine learning in materials discovery using simulated research landscapes. Physical chemistry chemical physics : PCCP 23 (26) (2021)
Rex Manurung, Ping Li, Alessandro Troisi
Rapid Method for Calculating the Conformationally Averaged Electronic Structure of Conjugated Polymers. The journal of physical chemistry. B 125 (23) (2021)
Varuni Dantanarayana, Tahereh Nemati Aram, Daniel Vong, John E Anthony, Alessandro Troisi, Kien Nguyen Cong, Nir Goldman, Sung Oh Cho, Adam J Moulé
Predictive Model of Charge Mobilities in Organic Semiconductor Small Molecules with Force-Matched Potentials. Journal of chemical theory and computation 16 (6) (2020)
Micaela Matta, Alessandro Pezzella, Alessandro Troisi
Relation between Local Structure, Electric Dipole, and Charge Carrier Dynamics in DHICA Melanin: A Model for Biocompatible Semiconductors. The journal of physical chemistry letters 11 (3) (2020)
Joshua D Elliott, Alessandro Troisi, Paola Carbone
A QM/MD Coupling Method to Model the Ion-Induced Polarization of Graphene. Journal of chemical theory and computation 16 (8) (2020)
Kirsten Claridge, Alessandro Troisi
Developing Consistent Molecular Dynamics Force Fields for Biological Chromophores via Force Matching. The journal of physical chemistry. B 123 (2) (2019)
Xiaoyu Xie, Alejandro Santana-Bonilla, Wei-Hai Fang, Chun-Gen Liu, Alessandro Troisi, Hai-Bo Ma
Exciton-Phonon Interaction Model for Singlet Fission in Prototypical Molecular Crystals. Journal of chemical theory and computation 15 (6) (2019)
Xiaoyu Xie, Alejandro Santana-Bonilla, Alessandro Troisi
Nonlocal Electron-Phonon Coupling in Prototypical Molecular Semiconductors from First Principles. Journal of chemical theory and computation 14 (7) (2018)
Christopher D Williams, James Dix, Alessandro Troisi, Paola Carbone
Effective Polarization in Pairwise Potentials at the Graphene-Electrolyte Interface. The journal of physical chemistry letters 8 (3) (2017)
Rocco P Fornari, Patrick Rowe, Daniele Padula, Alessandro Troisi
Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic Semiconductors. Journal of chemical theory and computation 13 (8) (2017)
Alessandro Pirrotta, Gemma C Solomon, Ignacio Franco, Alessandro Troisi
Excitonic Coupling Modulated by Mechanical Stimuli. The journal of physical chemistry letters 8 (18) (2017)
George C Knee, Patrick Rowe, Luke D Smith, Alessandro Troisi, Animesh Datta
Structure-Dynamics Relation in Physically-Plausible Multi-Chromophore Systems. The journal of physical chemistry letters 8 (10) (2017)
Yun Geng, Myeong H Lee, Alessandro Troisi
Effect of Infrared Pulse Excitation on the Bound Charge-Transfer State of Photovoltaic Interfaces. The journal of physical chemistry letters 8 (19) (2017)
Daniele Padula, Myeong H Lee, Kirsten Claridge, Alessandro Troisi
Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics. The journal of physical chemistry. B 121 (43) (2017)