Search

7 results in Authors: Daniele Ongari

Materials Chemistry

Working Paper

Data-driven matching of experimental crystal structures and gas adsorption isotherms of metal-organic frameworks

Daniele Ongari, Leopold Talirz, Kevin M. Jablonka, Daniel W. Siderius, Berend Smit

Version 3 posted 02 February 2022

718

Downloads

Theoretical and Computational Chemistry

Working Paper

Diversifying databases of metal organic frameworks for high-throughput computational screening

Sauradeep Majumdar, Seyed Mohamad Moosavi, Kevin Maik Jablonka, Daniele Ongari, Berend Smit

Version 1 posted 28 September 2021

275

Downloads

Materials Chemistry

Working Paper

A Data-Science Approach to Predict the Heat Capacity of Nanoporous Materials

Seyed Mohamad Moosavi, Balázs Álmos Novotny, Daniele Ongari, Elias Moubarak, Mehrdad Asgari, Özge Kadioglu, Charithea Charalambous, Andres Guerrero, Amir H. Farmahini, Lev Sarkisov, Susana Garcia, Frank Noé, Berend Smit

Version 1 posted 19 April 2022

1,291

Downloads

Theoretical and Computational Chemistry

Working Paper

Using Collective Knowledge to Assign Oxidation States

Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit

Version 1 posted 17 January 2020

1,437

Downloads

Citations

Inorganic Chemistry

Working Paper

Understanding the Diversity of the Metal-Organic Framework Ecosystem

Seyed Mohamad Moosavi, Aditya Nandy, Kevin Maik Jablonka, Daniele Ongari, Jon Paul Janet, Peter G. Boyd, Yongjin Lee, Berend Smit, Heather Kulik

Version 1 posted 07 May 2020

975

Downloads

Citations

Theoretical and Computational Chemistry

Working Paper

In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

Kathryn Deeg, Daiane Damasceno Borges, Daniele Ongari, Nakul Rampal, Leopold Talirz, Aliaksandr V. Yakutovich, Johanna M. Huck, Berend Smit

Version 1 posted 03 February 2020

714

Downloads

Inorganic Chemistry

Working Paper

Color-tunable and high quantum-yield luminescence from a biomolecule-inspired single species emitter of white light

Fatmah Mish Ebrahim, Maria Fumanal, Andrzej Gladysiak, Ozge Kadioglu, Kevin Jablonka, Daniele Ongari, Amber Mace, Serhii Shyshkanov, Seryio Saris, Christopher Ireland, Paul Dyson, Kyriakos Stylianou, Berend Smit

Version 1 posted 27 August 2021

305

Downloads

Search

Refine Search

7 results in Daniele Ongari in Authors: Daniele Ongari

Data-driven matching of experimental crystal structures and gas adsorption isotherms of metal-organic frameworks

Diversifying databases of metal organic frameworks for high-throughput computational screening

A Data-Science Approach to Predict the Heat Capacity of Nanoporous Materials

Using Collective Knowledge to Assign Oxidation States

Understanding the Diversity of the Metal-Organic Framework Ecosystem

In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

Color-tunable and high quantum-yield luminescence from a biomolecule-inspired single species emitter of white light

7 results in Authors: Daniele Ongari