Search

Materials Science

Working Paper

Relation Between Local Structure, Electric Dipole and Charge Carrier Dynamics in DHICA Melanin, a Model for Biocompatible Semiconductors

Micaela Matta, Alessandro Pezzella, Alessandro Troisi

Version 1 posted 13 December 2019

447

Downloads

Theoretical and Computational Chemistry

Working Paper

From monomer sequence to charge mobility in semiconductor polymers via model reduction

Suryoday Prodhan, Rex Manurung, Alessandro Troisi

Version 1 posted 27 March 2023

117

Downloads

Theoretical and Computational Chemistry

Working Paper

Identification of Unknown Inverted Singlet-Triplet Cores by High--Throughput Virtual Screening

Omer Omar, Xiaoyiu Xie, Alessandro Troisi, Daniele Padula

Version 3 posted 19 July 2023

452

Downloads

Theoretical and Computational Chemistry

Working Paper

Local Structuring of Diketopyrrolopyrrole (DPP)-Based Semiconducting Polymers Using Molecular Dynamics Simulations

Maryam Reisjalali, Jose Javier Burgos Marmol, Alessandro Troisi

Version 1 posted 04 May 2020

488

Downloads

Theoretical and Computational Chemistry

Working Paper

Microstructural model of Indacenodithiophene-co-benzothiadiazole Polymer: π-crossing interactions and their potential impact on charge transport

Hesam Makki, Colm Burke, Alessandro Troisi

Version 1 posted 28 June 2023

179

Downloads

Theoretical and Computational Chemistry

Working Paper

Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules

Zikai Xie, Xenophon Evangelopoulos, Ömer Omar, Alessandro Troisi, Andrew I. Cooper, Linjiang Chen

Version 1 posted 23 August 2023

577

Downloads

Theoretical and Computational Chemistry

Working Paper

From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery

Colm Burke, Hesam Makki, Alessandro Troisi

Version 1 posted 02 January 2024

251

Downloads

Refine Search

7 results in Alessandro Troisi in Authors: Alessandro Troisi

Relation Between Local Structure, Electric Dipole and Charge Carrier Dynamics in DHICA Melanin, a Model for Biocompatible Semiconductors

From monomer sequence to charge mobility in semiconductor polymers via model reduction

Identification of Unknown Inverted Singlet-Triplet Cores by High--Throughput Virtual Screening

Local Structuring of Diketopyrrolopyrrole (DPP)-Based Semiconducting Polymers Using Molecular Dynamics Simulations

Microstructural model of Indacenodithiophene-co-benzothiadiazole Polymer: π-crossing interactions and their potential impact on charge transport

Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules

From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery

7 results in Authors: Alessandro Troisi