Correction: Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034)

Gabriel Bramley; Manh Thuong Nguyen; Vassiliki Alexandra Glezakou; Roger Rousseau; Chris Kriton Skylaris

doi:10.1021/acs.jctc.0c00554

Correction: Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034)

Gabriel Bramley, Manh Thuong Nguyen, Vassiliki Alexandra Glezakou, Roger Rousseau, Chris Kriton Skylaris

Chemical Sciences Division

Research output: Contribution to journal › Comment/debate

Abstract

The correct version of the Acknowledgments is shown below. ACKNOWLEDGMENTS G.B. (partial support), V.-A.G., M.-T.N., and R.R. were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. Computer resources were provided by Research Computing at Pacific Northwest National Laboratory (PNNL) and the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. G.B. acknowledges the EPSRC for partial support in PhD funding. The authors acknowledge the use of the IRIDIS High Performance Computing Facility (IRIDIS 5) and associated support services at the University of Southampton in the completion of this work. We are grateful to the UK Materials and Molecular Modeling Hub (Thomas HPC) for computational resources, which is partially funded by EPSRC (EP/P020194/1).

Original language	English
Pages (from-to)	4755
Number of pages	1
Journal	Journal of Chemical Theory and Computation
Volume	16
Issue number	7
DOIs	https://doi.org/10.1021/acs.jctc.0c00554
State	Published - Jul 14 2020

Funding

G.B. (partial support), V.-A.G., M.-T.N., and R.R. were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. Computer resources were provided by Research Computing at Pacific Northwest National Laboratory (PNNL) and the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. G.B. acknowledges the EPSRC for partial support in PhD funding. The authors acknowledge the use of the IRIDIS High Performance Computing Facility (IRIDIS 5) and associated support services at the University of Southampton in the completion of this work. We are grateful to the UK Materials and Molecular Modeling Hub (Thomas HPC) for computational resources, which is partially funded by EPSRC (EP/P020194/1).

Funders	Funder number
UK Materials and Molecular Modeling Hub	EP/P020194/1
U.S. Department of Energy	DE-AC02-05CH11231, DE-AC05-76RL01830
Office of Science
Basic Energy Sciences
Chemical Sciences, Geosciences, and Biosciences Division
National Energy Research Scientific Computing Center
Engineering and Physical Sciences Research Council

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Bramley, G., Nguyen, M. T., Glezakou, V. A., Rousseau, R., & Skylaris, C. K. (2020). Correction: Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034). Journal of Chemical Theory and Computation, 16(7), 4755. https://doi.org/10.1021/acs.jctc.0c00554

Bramley, Gabriel ; Nguyen, Manh Thuong ; Glezakou, Vassiliki Alexandra et al. / Correction : Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034). In: Journal of Chemical Theory and Computation. 2020 ; Vol. 16, No. 7. pp. 4755.

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title = "Correction: Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034)",

abstract = "The correct version of the Acknowledgments is shown below. ACKNOWLEDGMENTS G.B. (partial support), V.-A.G., M.-T.N., and R.R. were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. Computer resources were provided by Research Computing at Pacific Northwest National Laboratory (PNNL) and the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. G.B. acknowledges the EPSRC for partial support in PhD funding. The authors acknowledge the use of the IRIDIS High Performance Computing Facility (IRIDIS 5) and associated support services at the University of Southampton in the completion of this work. We are grateful to the UK Materials and Molecular Modeling Hub (Thomas HPC) for computational resources, which is partially funded by EPSRC (EP/P020194/1).",

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Bramley, G, Nguyen, MT, Glezakou, VA , Rousseau, R & Skylaris, CK 2020, 'Correction: Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034)', Journal of Chemical Theory and Computation, vol. 16, no. 7, pp. 4755. https://doi.org/10.1021/acs.jctc.0c00554

Correction: Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034). / Bramley, Gabriel; Nguyen, Manh Thuong; Glezakou, Vassiliki Alexandra et al.
In: Journal of Chemical Theory and Computation, Vol. 16, No. 7, 14.07.2020, p. 4755.

Research output: Contribution to journal › Comment/debate

TY - JOUR

T1 - Correction

T2 - Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034)

AU - Bramley, Gabriel

AU - Nguyen, Manh Thuong

AU - Glezakou, Vassiliki Alexandra

AU - Rousseau, Roger

AU - Skylaris, Chris Kriton

PY - 2020/7/14

Y1 - 2020/7/14

N2 - The correct version of the Acknowledgments is shown below. ACKNOWLEDGMENTS G.B. (partial support), V.-A.G., M.-T.N., and R.R. were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. Computer resources were provided by Research Computing at Pacific Northwest National Laboratory (PNNL) and the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. G.B. acknowledges the EPSRC for partial support in PhD funding. The authors acknowledge the use of the IRIDIS High Performance Computing Facility (IRIDIS 5) and associated support services at the University of Southampton in the completion of this work. We are grateful to the UK Materials and Molecular Modeling Hub (Thomas HPC) for computational resources, which is partially funded by EPSRC (EP/P020194/1).

AB - The correct version of the Acknowledgments is shown below. ACKNOWLEDGMENTS G.B. (partial support), V.-A.G., M.-T.N., and R.R. were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. Computer resources were provided by Research Computing at Pacific Northwest National Laboratory (PNNL) and the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. G.B. acknowledges the EPSRC for partial support in PhD funding. The authors acknowledge the use of the IRIDIS High Performance Computing Facility (IRIDIS 5) and associated support services at the University of Southampton in the completion of this work. We are grateful to the UK Materials and Molecular Modeling Hub (Thomas HPC) for computational resources, which is partially funded by EPSRC (EP/P020194/1).

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U2 - 10.1021/acs.jctc.0c00554

DO - 10.1021/acs.jctc.0c00554

M3 - Comment/debate

C2 - 32543840

AN - SCOPUS:85087131277

SN - 1549-9618

VL - 16

SP - 4755

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 7

ER -

Bramley G, Nguyen MT, Glezakou VA , Rousseau R, Skylaris CK. Correction: Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034). Journal of Chemical Theory and Computation. 2020 Jul 14;16(7):4755. doi: 10.1021/acs.jctc.0c00554

Correction: Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study (Journal of Chemical Theory and Computation (2020)16: 4(2703-2715)Doi: 10.1021/acs.jctc.0c00034)

Abstract

Funding

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