Search

Theoretical and Computational Chemistry

Working Paper

Machine Learning for Organic Cage Property Prediction

Lukas Turcani, Rebecca L. Greenaway, Kim Jelfs

Version 3 posted 30 November 2018

1,512

Downloads

Catalysis

Working Paper

A High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers

Liam Wilbraham, Enrico Berardo, Lukas Turcani, Kim Jelfs, Martijn Zwijnenburg

Version 2 posted 18 June 2018

831

Downloads

Organic Chemistry

Working Paper

Computational Discovery of Molecular C60 Encapsulants with an Evolutionary Algorithm

Marcin Miklitz, Lukas Turcani, Rebecca L. Greenaway, Kim Jelfs

Version 2 posted 13 December 2019

663

Downloads

Materials Chemistry

Working Paper

Materials Precursor Score: Modelling Chemists' Intuition for the Synthetic Accessibility of Porous Organic Cage Precursors

Steven Bennett, Filip Szczypiński, Lukas Turcani, Michael Briggs, Rebecca L. Greenaway, Kim Jelfs

Version 2 posted 09 July 2021

622

Downloads

Theoretical and Computational Chemistry

Working Paper

STK: A Python Toolkit for Supramolecular Assembly

Lukas Turcani, Enrico Berardo, Kim Jelfs

Version 1 posted 12 April 2018

1,492

Downloads

1

Citations

Materials Science

Working Paper

An Evolutionary Algorithm for the Discovery of Porous Organic Cages

Enrico Berardo, Lukas Turcani, Marcin Miklitz, Kim Jelfs

Version 1 posted 10 August 2018

671

Downloads

Theoretical and Computational Chemistry

Working Paper

Stk: An Extendable Python Framework for Automated Molecular and Supramolecular Structure Assembly and Discovery

Lukas Turcani, Andrew Tarzia, Filip Szczypiński, Kim Jelfs

Version 2 posted 10 May 2021

579

Downloads

Organic Chemistry

Working Paper

Computationally-Inspired Discovery of an Unsymmetrical Porous Organic Cage

Enrico Berardo, Rebecca L. Greenaway, Lukas Turcani, Ben M. Alston, Michael J. Bennison, Marcin Miklitz, Rob Clowes, Micheal E. Briggs, Andrew I. Cooper, Kim Jelfs

Version 1 posted 26 July 2018

845

Downloads

Theoretical and Computational Chemistry

Working Paper

Streamlining the Automated Discovery of Porous Organic Cages

Annabel Basford, Steven Bennett, Muye Xiao, Lukas Turcani, Jasmine Allen, Kim Jelfs, Rebecca Greenaway

Version 1 posted 16 November 2023

483

Downloads

Refine Search

9 results in Lukas Turcani in Authors: Lukas Turcani

Machine Learning for Organic Cage Property Prediction

A High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers

Computational Discovery of Molecular C60 Encapsulants with an Evolutionary Algorithm

Materials Precursor Score: Modelling Chemists' Intuition for the Synthetic Accessibility of Porous Organic Cage Precursors

STK: A Python Toolkit for Supramolecular Assembly

An Evolutionary Algorithm for the Discovery of Porous Organic Cages

Stk: An Extendable Python Framework for Automated Molecular and Supramolecular Structure Assembly and Discovery

Computationally-Inspired Discovery of an Unsymmetrical Porous Organic Cage

Streamlining the Automated Discovery of Porous Organic Cages

9 results in Authors: Lukas Turcani