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D-Index & Metrics

Chemistry

D-Index
64
Citations
14162
World Ranking
8067
National Ranking
207

Overview

Tom K. Woo is affiliated with the University of Ottawa in Canada, with a research focus encompassing multiple aspects of materials science, chemistry, and engineering. Their body of work spans 18 publications in materials science, 14 in chemistry, and 13 in engineering, illustrating a multidisciplinary approach to research.

Their expertise extends notably into subfields such as materials chemistry and inorganic chemistry, with 18 and 14 publications respectively. They have also contributed to mechanical engineering, environmental chemistry, and biomedical engineering.

The primary research topics that Tom K. Woo engages with include:

  • Metal-Organic Frameworks: Synthesis and Applications
  • Machine Learning in Materials Science
  • Carbon Dioxide Capture Technologies
  • X-ray Diffraction in Crystallography
  • Methane Hydrates and Related Phenomena
  • Covalent Organic Framework Applications
  • Phase Equilibria and Thermodynamics

Their recent publications reflect this diverse interest and include:

  • A scalable metal-organic framework as a durable physisorbent for carbon dioxide capture, 2021, Science
  • Inverse design of nanoporous crystalline reticular materials with deep generative models, 2021, Nature Machine Intelligence
  • Prediction of MOF Performance in Vacuum Swing Adsorption Systems for Postcombustion CO2 Capture Based on Integrated Molecular Simulations, Process Optimizations, and Machine Learning Models, 2020, Environmental Science & Technology
  • ARC-MOF: A Diverse Database of Metal-Organic Frameworks with DFT-Derived Partial Atomic Charges and Descriptors for Machine Learning, 2023, Chemistry of Materials
  • High-Performing Deep Learning Regression Models for Predicting Low-Pressure CO2 Adsorption Properties of Metal-Organic Frameworks, 2020, The Journal of Physical Chemistry C

Tom K. Woo collaborates frequently with several co-authors, including:

  • Marco Gibaldi
  • Jake Burner
  • Andrew J. P. White
  • Ohmin Kwon
  • Peter G. Boyd

Their research contributions have been published in various scientific venues. Notable frequent publication venues include:

  • Zenodo (CERN European Organization for Nuclear Research)
  • The Journal of Chemical Physics
  • ACS Applied Materials & Interfaces
  • Science
  • Nature Machine Intelligence

Best Publications

  • Direct Observation and Quantification of CO2 Binding Within an Amine-Functionalized Nanoporous Solid

    Ramanathan Vaidhyanathan;Simon S. Iremonger;George K. H. Shimizu;Peter G. Boyd

  • Catalytic intermolecular direct arylation of perfluorobenzenes.

    Marc Lafrance;Christopher N Rowley;Tom K Woo;Keith Fagnou

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

    Peter G. Boyd;Arunraj Chidambaram;Enrique García-Díez;Christopher P. Ireland

  • The Role of Bulky Substituents in Brookhart-Type Ni(II) Diimine Catalyzed Olefin Polymerization: A Combined Density Functional Theory and Molecular Mechanics Study

    Liqun Deng;Tom K. Woo;Luigi Cavallo;and Peter M. Margl

  • Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional

    Carlos Campañá;Bastien Mussard;Tom K. Woo

  • Inverse design of nanoporous crystalline reticular materials with deep generative models

    Zhenpeng Yao;Zhenpeng Yao;Benjamín Sánchez-Lengeling;N. Scott Bobbitt;Benjamin J. Bucior

  • Atomic and electronic structure of unreduced and reduced CeO2 surfaces: A first-principles study

    Zongxian Yang;Tom K. Woo;Micael Baudin;Kersti Hermansson

  • A density functional study of chain growing and chain terminating steps in olefin polymerization by metallocene and constrained geometry catalysts

    T. K. Woo;L. Fan;T. Ziegler

  • Molecular Mechanisms for the Functionality of Lubricant Additives

    Nicholas J. Mosey;Martin H. Müser;Tom K. Woo

  • Rapid and Accurate Machine Learning Recognition of High Performing Metal Organic Frameworks for CO2 Capture.

    Michael Fernandez;Peter G. Boyd;Thomas D. Daff;Mohammad Zein Aghaji

  • Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks

    Michael Fernandez;Tom K. Woo;Christopher E. Wilmer;Randall Q. Snurr

  • A Combined Car−Parrinello QM/MM Implementation for ab Initio Molecular Dynamics Simulations of Extended Systems: Application to Transition Metal Catalysis

    Tom K. Woo;Peter M. Margl;Peter E. Blöchl;Tom Ziegler

  • A Density Functional Study on the Origin of the Propagation Barrier in the Homogeneous Ethylene Polymerization with Kaminsky-Type Catalysts

    John C. W. Lohrenz;Tom K. Woo;Tom Ziegler

  • Implementation of the IMOMM methodology for performing combined QM/MM molecular dynamics simulations and frequency calculations

    Tom K. Woo;Luigi Cavallo;Tom Ziegler

  • Prediction of MOF Performance in Vacuum Swing Adsorption Systems for Postcombustion CO2 Capture Based on Integrated Molecular Simulations, Process Optimizations, and Machine Learning Models.

    Thomas D. Burns;Kasturi Nagesh Pai;Sai Gokul Subraveti;Sean P. Collins

  • Effects of Zr doping on stoichiometric and reduced ceria: A first-principles study

    Zongxian Yang;Tom K. Woo;Kersti Hermansson

  • Combined Static and Dynamic Density Functional Study of the Ti(IV) Constrained Geometry Catalyst (CpSiH2NH)TiR+. 1. Resting States and Chain Propagation

    Tom K. Woo;Peter M. Margl;John C. W. Lohrenz;and Peter E. Blöchl

  • A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification

    Shyamapada Nandi;Phil De Luna;Thomas D. Daff;Jens Rother

  • Robust Machine Learning Models for Predicting High CO2 Working Capacity and CO2/H2 Selectivity of Gas Adsorption in Metal Organic Frameworks for Precombustion Carbon Capture

    Hana Dureckova;Mykhaylo Krykunov;Mohammad Zein Aghaji;Tom K. Woo

  • Static and ab Initio Molecular Dynamics Study of the Titanium(IV)-Constrained Geometry Catalyst (CpSiH2NH)Ti-R+. 2. Chain Termination and Long Chain Branching

    Tom K. Woo;Peter M. Margl;Tom Ziegler;Peter E. Blöchl

  • Hydrogen-bonding alcohol-water interactions in binary ethanol, 1-propanol, and 2-propanol+methane structure II clathrate hydrates.

    Saman Alavi;Satoshi Takeya;Ryo Ohmura;Tom K. Woo

  • A generalized method for constructing hypothetical nanoporous materials of any net topology from graph theory

    Peter G. Boyd;Tom K. Woo

Frequent Co-Authors

Saman Alavi
Saman Alavi University of Ottawa
Tom Ziegler
Tom Ziegler University of Calgary
John A. Ripmeester
John A. Ripmeester National Research Council Canada
Luigi Cavallo
Luigi Cavallo King Abdullah University of Science and Technology
Kersti Hermansson
Kersti Hermansson Uppsala University
George K. H. Shimizu
George K. H. Shimizu University of Calgary
Tom Burns
Tom Burns University of Oxford
Yining Huang
Yining Huang University of Western Ontario
Darrin S. Richeson
Darrin S. Richeson University of Ottawa
Ilia Korobkov
Ilia Korobkov Saudi Arabia Basic Industries (Saudi Arabia)

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