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Tom K. Woo

university of ottawa

58H指数
244论文数
1.4W被引数
收录论文 90
发表时间
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How well do conventional atomistic simulations predict adsorption binding sites in metal–organic frameworks compared to experiment?与传统实验相比，常规原子模拟在预测金属-有机框架中吸附结合位点方面的表现如何？
errmater. adv.
IF0
err2026-04-03
err0
errOAAI
errJake Burner †; Olivier Marchand †; Sari Warshawsky; Marco Gibaldi; Tom K. Woo
err分享
err收藏
High-Throughput Screening of Experimental Metal–organic Frameworks for High Water Content Syngas Hydrogen Purification under Pressure Swing Adsorption Conditions高压 swing adsorption 条件下高水含量合成气氢气纯化实验金属-有机框架的高通量筛选
errACS Applied Materials and Interfaces
IF8.2
err2026-01-10
err0
PREAI
errJun Luo; Marco Gibaldi; Samira Rostom; Robert T. Symonds; Robin W. Hughes; Tom K. Woo
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Generalizable classification of crystal structure error types using graph attention networks使用图注意力网络对晶体结构错误类型进行可推广的分类
errJ. Mater. Chem. A
IF9.5
err2025-09-30
err0
errOAAI
errMarco Gibaldi; Jun Luo; Andrew J. White; R. Alex Mayo; Cécile Pereira; Tom K. Woo
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Incorporation of Ligand Charge and Metal Oxidation State Considerations into the Computational Solvent Removal and Activation of Experimental Crystal Structures Preceding Molecular Simulation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-12-23
err0
PREAI
errGibaldi, Marco; Kapeliukha, Anna; White, Andrew; Woo, Tom K.
err分享
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MEPO-ML: a robust graph attention network model for rapid generation of partial atomic charges in metal-organic frameworks
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-09-18
err1
errOAAI
errLuo, Jun; Said, Omar Ben; Xie, Peigen; Gibaldi, Marco; Burner, Jake; Pereira, Cecile; Woo, Tom K.
err分享
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Hydrogen Adsorption in Ultramicroporous Metal-Organic Frameworks Featuring Silent Open Metal Sites具有沉默开放金属位点的超微孔金属有机框架中的氢吸附
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2023-11-01
err2
errOAAI
errChiu, Nan Chieh; Compton, Dalton; Gladysiak, Andrzej; Simrod, Scott; Khivantsev, Konstantin; Woo, Tom K.; Stadie, Nicholas P.; Stylianou, Kyriakos C.
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The Challenge of Water Competition in Physical Adsorption of CO2 by Porous Solids for Carbon Capture Applications - A Short Perspective
errADVANCED MATERIALS
IF26.8
err2023-07-26
err26
errOAAI
errRajendran, Arvind; Shimizu, George K. H.; Woo, Tom K.
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ARC-MOF: A Diverse Database of Metal-Organic Frameworks with DFT-Derived Partial Atomic Charges and Descriptors for Machine LearningARC-MOF: 具有DFT衍生的部分原子电荷和用于机器学习的描述符的金属有机框架的多样化数据库
errCHEMISTRY OF MATERIALS
IF7
err2023-01-20
err51
errOAAI
errBurner, Jake; Luo, Jun; White, Andrew; Mirmiran, Adam; Kwon, Ohmin; Boyd, Peter G.; Maley, Stephen; Gibaldi, Marco; Simrod, Scott; Ogden, Victoria; Woo, Tom K.
err分享
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Molecular dynamics simulations of interfacial structure, dynamics, and interfacial tension of tetrabutylammonium bromide aqueous solution in the presence of methane and carbon dioxide
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-18
err5
errOAAI
errNaeiji, Parisa; Woo, Tom K.; Ohmura, Ryo; Alavi, Saman
err分享
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The HEALED SBU Library of Chemically Realistic Building Blocks for Construction of Hypothetical Metal-Organic Frameworks
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2022-09-19
err11
errOAAI
errGibaldi, Marco; Kwon, Ohmin; White, Andrew; Burner, Jake; Woo, Tom K.
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Inverse design of nanoporous crystalline reticular materials with deep generative models具有深度生成模型的纳米多孔晶体网状材料的逆向设计
errNATURE MACHINE INTELLIGENCE
IF23.9
err2021-01-11
err236
errOAAI
errYao, Zhenpeng; Sanchez-Lengeling, Benjamin; Bobbitt, N. Scott; Bucior, Benjamin J.; Kumar, Sai Govind Hari; Collins, Sean P.; Burns, Thomas; Woo, Tom K.; Farha, Omar K.; Snurr, Randall Q.; Aspuru-Guzik, Alan
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High-Performing Deep Learning Regression Models for Predicting Low-Pressure CO2 Adsorption Properties of Metal-Organic Frameworks
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-12-09
err65
PREAI
errBurner, Jake; Schwiedrzik, Ludwig; Krykunov, Mykhaylo; Luo, Jun; Boyd, Peter G.; Woo, Tom K.
err分享
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Molecular dynamics simulations of interfacial properties of the CO2-water and CO2-CH4-water systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-07-22
err27
PREAI
errNaeiji, Parisa; Woo, Tom K.; Alavi, Saman; Ohmura, Ryo
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Prediction of MOF Performance in Vacuum Swing Adsorption Systems for Postcombustion CO2 Capture Based on Integrated Molecular Simulations, Process Optimizations, and Machine Learning Models
errENVIRONMENTAL SCIENCE & TECHNOLOGY
IF11.3
err2020-02-24
err136
PREAI
errBurns, Thomas D.; Pai, Kasturi Nagesh; Subraveti, Sai Gokul; Collins, Sean P.; Krykunov, Mykhaylo; Rajendran, Arvind; Woo, Tom K.
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Molecular Dynamic Simulations of Clathrate Hydrate Anomalous Preservation: The Effect of Coating Clathrate Hydrate Phases
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-11-05
err12
PREAI
errNaeiji, Parisa; Woo, Tom K.; Alavi, Saman; Ripmeester, John A.
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Interfacial properties of hydrocarbon/water systems predicted by molecular dynamic simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-03-20
err32
PREAI
errNaeiji, Parisa; Woo, Tom K.; Alavi, Saman; Varaminian, Farshad; Ohmura, Ryo
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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
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-01-18
err132
PREAI
errDureckova, Hana; Krykunov, Mykhaylo; Aghaji, Mohammad Zein; Woo, Tom K.
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Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility
errMATERIALS HORIZONS
IF10.7
err2019-01-01
err18
PREAI
errNandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan
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Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2018-12-28
err11
PREAI
errBrunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee
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Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-12-06
err17
errOAAI
errCollins, Sean P.; Perim, E.; Daff, Thomas D.; Skaf, Munir S.; Galvao, Douglas S.; Woo, Tom K.
err分享
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研究方向

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合作学者
合作期刊
O
Omar K. Farha
H 指数: 169 · 论文数: 1.2K
R
Randall Q. Snurr
H 指数: 116 · 论文数: 647
罗
罗俊 (Jun Luo)
H 指数: 115 · 论文数: 489
A
Alán Aspuru‐Guzik
H 指数: 114 · 论文数: 936
L
Luigi Cavallo
H 指数: 112 · 论文数: 1.2K
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