Publications by authors named "James P Lewis"

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Bird's-Eye View of the Activity Distribution on a Catalyst Surface via a Machine Learning-Driven Adequate Sampling Algorithm.
Hui Yang, Pengju Ren, Xiaobin Geng, Wenping Guo, James Patrick Lewis

J Phys Chem Lett· April 2024

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Tuning Surface-Electron Spins on Fe O (111) through Chemisorption of Carbon Monoxide.
Dong-Bo Cao, Xingchen Liu, James P Lewis, Wenping Guo, Xiaodong Wen

Angew Chem Int Ed Engl· June 2022

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Artificial intelligence: A powerful paradigm for scientific research.
Yongjun Xu, Xin Liu, Xin Cao, Changping Huang, Enke Liu, James P Lewis

Innovation (Camb)· November 2021

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Accelerated Discovery of Two-Dimensional Optoelectronic Octahedral Oxyhalides via High-Throughput Calculations and Machine Learning.
Xing-Yu Ma, James P Lewis, Qing-Bo Yan, Gang Su

J Phys Chem Lett· November 2019

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Boosting Photocatalytic Hydrogen Production by Modulating Recombination Modes and Proton Adsorption Energy.
Yitao Dai, Qijing Bu, Rishmali Sooriyagoda, Pedram Tavadze, Olivia Pavlic, James P Lewis

J Phys Chem Lett· September 2019

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Solid Base Bi O Br (OH) with Active Lattice Oxygen for the Efficient Photo-Oxidation of Primary Alcohols to Aldehydes.
Yitao Dai, Pengju Ren, Yaru Li, Dongdong Lv, Yanbin Shen, James P Lewis

Angew Chem Int Ed Engl· May 2019

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Machine-Learning Prediction of CO Adsorption in Thiolated, Ag-Alloyed Au Nanoclusters.
Gihan Panapitiya, Guillermo Avendaño-Franco, Pengju Ren, Xiaodong Wen, Yongwang Li, James P Lewis

J Am Chem Soc· December 2018

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Structural and catalytic properties of the AuAg(SCH) (x = 6, 7, 8) nanocluster.
Gihan Panapitiya, Hong Wang, Yuxiang Chen, Ejaz Hussain, Rongchao Jin, James P Lewis

Phys Chem Chem Phys· May 2018

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A Machine-Driven Hunt for Global Reaction Coordinates of Azobenzene Photoisomerization.
Pedram Tavadze, Guillermo Avendaño Franco, Pengju Ren, Xiaodong Wen, Yongwang Li, James P Lewis

J Am Chem Soc· January 2018

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Controlling Ag-doping in [AgAu(SCH)] nanoclusters: cryogenic optical, electronic and electrocatalytic properties.
Renxi Jin, Shuo Zhao, Chong Liu, Meng Zhou, Gihan Panapitiya, James P Lewis

Nanoscale· December 2017

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Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer.
Jesús I Mendieta-Moreno, Daniel G Trabada, Jesús Mendieta, James P Lewis, Paulino Gómez-Puertas

J Phys Chem Lett· November 2016

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Correction to "Product Selectivity Controlled by Zeolite Crystals in Biomass Hydrogenation over a Palladium Catalyst".
Chengtao Wang, Liang Wang, Jian Zhang, Hong Wang, James P Lewis

J Am Chem Soc· October 2016

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Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions.
Vladmír Zobač, James P Lewis, Pavel Jelínek

Nanotechnology· July 2016

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Product Selectivity Controlled by Zeolite Crystals in Biomass Hydrogenation over a Palladium Catalyst.
Chengtao Wang, Liang Wang, Jian Zhang, Hong Wang, James P Lewis

J Am Chem Soc· June 2016

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Slow Relaxation of Surface Plasmon Excitations in Au55: The Key to Efficient Plasmonic Heating in Au/TiO2.
Oshadha Ranasingha, Hong Wang, Vladimír Zobač, Pavel Jelínek, Gihan Panapitiya, James P Lewis

J Phys Chem Lett· April 2016

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Batrachochytrium salamandrivorans: The North American Response and a Call for Action.
Matthew J Gray, James P Lewis, Priya Nanjappa, Blake Klocke, Frank Pasmans

PLoS Pathog· December 2015

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Tripeptides on Gold Nanoparticles: Structural Differences between Two Reverse Sequences as Determined by Solid-State NMR and DFT Calculations.
Ichhuk Karki, Hong Wang, Natalie R Geise, Brendan W Wilson, James P Lewis

J Phys Chem B· September 2015

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Design and Preparation of Supported Au Catalyst with Enhanced Catalytic Activities by Rationally Positioning Au Nanoparticles on Anatase.
Liang Wang, Hong Wang, Andrew E Rice, Wei Zhang, Xiaokun Li, James P Lewis

J Phys Chem Lett· June 2015

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Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism.
Vladimír Zobač, James P Lewis, Enrique Abad, Jesús I Mendieta-Moreno, Prokop Hapala

J Phys Condens Matter· May 2015

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Calculated photo-isomerization efficiencies of functionalized azobenzene derivatives in solar energy materials: azo-functional organic linkers for porous coordinated polymers.
Amanda J Neukirch, Jinhee Park, Vladmir Zobac, Hong Wang, Pavel Jelinek, James P Lewis

J Phys Condens Matter· April 2015

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fireball/amber: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems.
Jesús I Mendieta-Moreno, Ross C Walker, James P Lewis, Paulino Gómez-Puertas, Jesús Mendieta

J Chem Theory Comput· May 2014

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Selective catalytic production of 5-hydroxymethylfurfural from glucose by adjusting catalyst wettability.
Liang Wang, Hong Wang, Fujian Liu, Anmin Zheng, Jian Zhang, James P Lewis

ChemSusChem· February 2014

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Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene Photoisomerization.
Amanda J Neukirch, Logan C Shamberger, Enrique Abad, Barry J Haycock, Hong Wang, James P Lewis

J Chem Theory Comput· January 2014

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Visible light plasmonic heating of Au-ZnO for the catalytic reduction of CO2.
Congjun Wang, Oshadha Ranasingha, Sittichai Natesakhawat, Paul R Ohodnicki, Mark Andio, James P Lewis

Nanoscale· August 2013

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Calculation of non-adiabatic coupling vectors in a local-orbital basis set.
Enrique Abad, James P Lewis, Vladmír Zobač, Prokop Hapala, Pavel Jelínek

J Chem Phys· April 2013

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