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added some suggestions or clarifications that the editor suggested.
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26 changes: 13 additions & 13 deletions paper/paper.bib
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Expand Up @@ -44,7 +44,7 @@ @article{Martin:1998
journal = {J. Phys. Chem. B},
number = {14},
pages = {2569--2577},
title = {{Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes}},
title = {{Transferable potentials for phase equilibria. 1. United-atom description of \emph{n}-alkanes}},
url = {https://pubs.acs.org/sharingguidelines},
volume = {102},
year = {1998}
Expand Down Expand Up @@ -174,7 +174,7 @@ @article{Good:1970
# Mixing rule arithmetic sigma
@article{Lorentz:1881,
author = {Lorentz, H. A.},
title = {Ueber die Anwendung des Satzes vom Virial in der kinetischen Theorie der Gase},
title = {{U}eber die {A}nwendung des {S}atzes vom {V}irial in der kinetischen {T}heorie der {G}ase},
journal = {Ann. d. Phys.},
volume = {12},
pages = {127--136},
Expand Down Expand Up @@ -213,7 +213,7 @@ @fidgit{forcefield-utilities:2022
# MoSDeF part 1
@article{Cummings:2021,
author = {Cummings, P.T. and McCabe, C. and Iacovella, C.R. and Ledeczi, A. and Jankowski, E. and Jayaraman, A. and Palmer, J.C. and Maginn, E.J. and Glotzer, S.C. and Anderson, J.A. and Siepmann, J.I. and Potoff, J. and Matsumoto, R.A. and Gilmer, J.B. and DeFever, R.S. and Singh, R. and Crawford, B.},
Title = {Open-Source Molecular Modeling Software in Chemical Engineering, with Focus on the Molecular Simulation Design Framework (MoSDeF)},
Title = {Open-Source Molecular Modeling Software in Chemical Engineering, with Focus on the {M}olecular {S}imulation {D}esign {F}ramework ({M}o{SD}e{F})},
journal = {AICHE J.},
volume = {67(3)},
pages = {e17206},
Expand All @@ -232,7 +232,7 @@ @article{Summers:2020
pages = {1779--1793},
pmid = {32004433},
publisher = {American Chemical Society},
title = {{MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films}},
title = {{{M}o{SD}e{F}, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films}},
url = {https://pubs.acs.org/doi/full/10.1021/acs.jctc.9b01183},
volume = {16},
year = {2020}
Expand All @@ -241,7 +241,7 @@ @article{Summers:2020
# MoSDeF-dihedral-fit GitHub
@fidgit{Crawford:2023b,
author = "Crawford, Brad and Quach, Co and Craven, Nicholas and Iacovella, Christopher R. and McCabe, Clare and Cummings, Peter T. and Potoff, Jeffrey",
title = "MoSDeF-dihedral-fit: A simple software package to fit dihedrals via the MoSDeF software.",
title = "{M}o{SD}e{F}-dihedral-fit: A simple software package to fit dihedrals via the {M}o{SD}e{F} software.",
year = "2023",
publisher = "Github",
url = {https://github.com/GOMC-WSU/MoSDeF-dihedral-fit},
Expand All @@ -252,7 +252,7 @@ @fidgit{Crawford:2023b
# MoSDeF-GOMC part 1
@article{Crawford:2023a,
author = {Crawford, Brad and Timalsina, Umesh and Quach, Co D. and Craven, Nicholas C. and Gilmer, Justin B. and McCabe, Clare and Cummings, Peter T. and Potoff, Jeffrey J.},
title = {MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC},
title = {{M}o{SD}e{F}-{GOMC}: Python Software for the Creation of Scientific Workflows for the {M}onte {C}arlo Simulation Engine {GOMC}},
journal = {Journal of Chemical Information and Modeling},
volume = {63},
number = {4},
Expand All @@ -266,7 +266,7 @@ @article{Crawford:2023a
# MoSDeF-GOMC part 2
@fidgit{Crawford:2022,
author = "Crawford, Brad and Timalsina, Umesh and Quach, Co D. and Craven, Nicholas and Gilmer, Justin and Cummings, Peter T. and Potoff, Jeffrey",
title = "MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC",
title = "{M}o{SD}e{F}-{GOMC}: Python software for the creation of scientific workflows for the {M}onte {C}arlo simulation engine {GOMC}",
year = "2022",
publisher = "Github",
url = "https://github.com/GOMC-WSU/MoSDeF-GOMC"
Expand All @@ -281,7 +281,7 @@ @article{Nejahi:2019
keywords = {Adsorption,GPU,Gibbs ensemble,Molecular simulation,Monte Carlo,Phase equilibrium},
pages = {20--27},
publisher = {Elsevier B.V.},
title = {{GOMC: GPU Optimized Monte Carlo for the simulation of phase equilibria and physical properties of complex fluids}},
title = {{GOMC: GPU Optimized {M}onte {C}arlo for the simulation of phase equilibria and physical properties of complex fluids}},
url = {https://doi.org/10.1016/j.softx.2018.11.005},
volume = {9},
year = {2019}
Expand All @@ -296,15 +296,15 @@ @article{Nejahi:2021
keywords = {Alchemical free energy,Crankshaft move,Cyclic molecules,Exp-6 potential,Molecular Exchange Monte Carlo,Multi-particle},
pages = {100627},
publisher = {Elsevier B.V.},
title = {{Update 2.70 to “GOMC: GPU Optimized Monte Carlo for the simulation of phase equilibria and physical properties of complex fluids”}},
title = {{Update 2.70 to “{GOMC}: {GPU} {O}ptimized {M}onte {C}arlo for the simulation of phase equilibria and physical properties of complex fluids”}},
volume = {13},
year = {2021}
}

# Exp6 paper
@article{Errington:1999,
author = {Errington, Jeffrey R. and Panagiotopoulos, Athanassios Z.},
title = {A New Intermolecular Potential Model for the n-Alkane Homologous Series},
title = {A New Intermolecular Potential Model for the \emph{n}-Alkane Homologous Series},
journal = {The Journal of Physical Chemistry B},
volume = {103},
number = {30},
Expand All @@ -331,7 +331,7 @@ @article{Potoff:2009
# Mie - Hemmen paper
@article{Hemmen:2015,
author = {Hemmen, Andrea and Gross, Joachim},
title = {Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibrium Calculations: n-Alkanes and n-Olefins},
title = {Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibrium Calculations: \emph{n}-Alkanes and \emph{n}-Olefins},
journal = {The Journal of Physical Chemistry B},
volume = {119},
number = {35},
Expand Down Expand Up @@ -527,7 +527,7 @@ @article{Vanommeslaeghe:2014
# cause issues in dihedral transferablity
@article{Chen:2015,
author = {Siyan Chen and Shasha Yi and Wenmei Gao and Chuncheng Zuo and Zhonghan Hu},
title = {Force field development for organic molecules: Modifying dihedral and 1-n pair interaction parameters},
title = {Force field development for organic molecules: Modifying dihedral and 1-\emph{n} pair interaction parameters},
journal = {J Comput Chem.},
volume = {36},
issue = {6},
Expand All @@ -554,7 +554,7 @@ @Inbook{Mielke:2019
publisher="Springer International Publishing",
address="Cham",
pages="39--47",
abstract="Scientific research involves the formulation of theory to explain observed phenomena and using experimentation to test and evolve these theories. Over the past two decades, computational modeling and simulation (M{\&}S) has become accepted as the third leg of scientific research because it provides additional insights that often are impractical or impossible to acquire using theoretical and experimental analysis alone. The purpose of this chapter is to explore how M{\&}S is used in system-level healthcare research and to present some practical guidelines for its use. Two modeling approaches commonly used in healthcare research, system dynamics models and agent-based models, are presented and their applications in healthcare research are described. The three simulation paradigms, Monte Carlo simulation, continuous simulation, and discrete event simulation, are defined and the conditions for their use are stated. An epidemiology case study is presented to illustrate the use of M{\&}S in the research process.",
abstract="Scientific research involves the formulation of theory to explain observed phenomena and using experimentation to test and evolve these theories. Over the past two decades, computational modeling and simulation (M{\&}S) has become accepted as the third leg of scientific research because it provides additional insights that often are impractical or impossible to acquire using theoretical and experimental analysis alone. The purpose of this chapter is to explore how M{\&}S is used in system-level healthcare research and to present some practical guidelines for its use. Two modeling approaches commonly used in healthcare research, system dynamics models and agent-based models, are presented and their applications in healthcare research are described. The three simulation paradigms, {M}onte {C}arlo simulation, continuous simulation, and discrete event simulation, are defined and the conditions for their use are stated. An epidemiology case study is presented to illustrate the use of M{\&}S in the research process.",
isbn="978-3-030-26837-4",
doi="10.1007/978-3-030-26837-4_6",
url="https://doi.org/10.1007/978-3-030-26837-4_6"
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