Publications de Peter George Boyd

Reply to "Inconsistencies in the specific nucleobase pairing motif prone to photodimerization in a MOF nanoreactor"

David Lyndon Emsley, Berend Smit, Dominik Józef Kubicki, Kyriakos Stylianou, Ngoc Tú Nguyên, Peter George Boyd, Andrzej Gladysiak, Samantha Lynn Anderson

Nature Portfolio2022

Understanding the diversity of the metal-organic framework ecosystem

Berend Smit, Seyedmohamad Moosavi, Daniele Ongari, Kevin Maik Jablonka, Peter George Boyd, Yongjin Lee

Millions of distinct metal-organic frameworks (MOFs) can be made by combining metal nodes and organic linkers. At present, over 90,000 MOFs have been synthesized and over 500,000 predicted. This raises the question whether a new experimental or predicted s ...

Nature Research2020

Nucleobase pairing and photodimerization in a biologically derived metal-organic framework nanoreactor

David Lyndon Emsley, Berend Smit, Dominik Józef Kubicki, Kyriakos Stylianou, Ngoc Tú Nguyên, Peter George Boyd, Andrzej Gladysiak, Samantha Lynn Anderson

Biologically derived metal-organic frameworks (bio-MOFs) are of great importance as they can be used as models for bio-mimicking and in catalysis, allowing us to gain insights into how large biological molecules function. Through rational design, here we r ...

Nature Research2019

Data-driven design of metal-organic frameworks for wet flue gas CO2 capture

Berend Smit, Pascal Alexander Schouwink, Susana Garcia Lopez, Kyriakos Stylianou, Seyedmohamad Moosavi, Peter George Boyd, Andrzej Gladysiak, Christopher Patrick Ireland, Arunraj Chidambaram, Enrique Garcia Diez

Limiting the increase of CO2 in the atmosphere is one of the largest challenges of our generation(1). Because carbon capture and storage is one of the few viable technologies that can mitigate current CO2 emissions(2), much effort is focused on developing ...

2019

Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials

Berend Smit, Daniele Ongari, Peter George Boyd, Amber Kashan Mace, Özge Kadioglu

Charge equilibration (Qeq) methods can estimate the electrostatic potential of molecules and periodic frameworks by assigning point charges to each atom, using only a small fraction of the resources needed to compute density functional (DFT)-derived charge ...

2019

Selective adsorption of carbon dioxide by a metal-organic framework

Berend Smit, Kyriakos Stylianou, Peter George Boyd, Arunraj Chidambaram

The present invention relates to the removal of carbon dioxide from gases. More particularly, the invention relates to the use of metal-organic frameworks for a selective adsorption of carbon dioxide from a gas. Further, the invention relates to a method f ...

2019

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Berend Smit, Peter George Boyd, Senja Dominique Barthel, Matthew David Witman

Scientific interest in two-dimensional (2D) materials, ranging from graphene and other single layer materials to atomically thin crystals, is quickly increasing for a large variety of technological applications. While in silico design approaches have made ...

2018

Peter George Boyd

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Reply to "Inconsistencies in the specific nucleobase pairing motif prone to photodimerization in a MOF nanoreactor"

Understanding the diversity of the metal-organic framework ecosystem

Nucleobase pairing and photodimerization in a biologically derived metal-organic framework nanoreactor

Data-driven design of metal-organic frameworks for wet flue gas CO2 capture

Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials

Selective adsorption of carbon dioxide by a metal-organic framework

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Improving the Mechanical Stability of Metal-Organic Frameworks Using Chemical Caryatids

Shedding Light on the Protonation States and Location of Protonated N Atoms of Adenine in Metal-Organic Frameworks

Text Mining Metal-Organic Framework Papers

Reply to "Inconsistencies in the specific nucleobase pairing motif prone to photodimerization in a MOF nanoreactor"

Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials

Selective adsorption of carbon dioxide by a metal-organic framework

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Improving the Mechanical Stability of Metal-Organic Frameworks Using Chemical Caryatids

Shedding Light on the Protonation States and Location of Protonated N Atoms of Adenine in Metal-Organic Frameworks

Text Mining Metal-Organic Framework Papers

Understanding the diversity of the metal-organic framework ecosystem

Nucleobase pairing and photodimerization in a biologically derived metal-organic framework nanoreactor

Data-driven design of metal-organic frameworks for wet flue gas CO2 capture