From 7a71c527704d9fe73159dcc074168ef81304b8a3 Mon Sep 17 00:00:00 2001 From: "Evan Walter Clark Spotte-Smith, PhD" Date: Fri, 4 Oct 2024 16:29:19 -0400 Subject: [PATCH] Update references --- paper.md | 10 +++++----- paper.pdf | Bin 212311 -> 212466 bytes 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/paper.md b/paper.md index 0c8654b..3ccb3a8 100644 --- a/paper.md +++ b/paper.md @@ -73,20 +73,20 @@ We have designed `RNMC` to be easily extensible, enabling users to add additiona # Statement of need -Three are many existing kMC implementations, including several open source examples (e.g. the Stochastic Parallel PARticle Kinetic Simulator or `SPPARKS`[@garcia2009crossing] and `kmos`).[@hoffmann2014kmos] +Three are many existing kMC implementations, including several open source examples (e.g. the Stochastic Parallel PARticle Kinetic Simulator or `SPPARKS` [@garcia2009crossing] and `kmos` [@hoffmann2014kmos]). `RNMC` began as a fork of SPPARKS but differs in several important ways. First, because `RNMC` uses the widely supported SQLite database engine for simulation inputs and outputs, it facilitates the automation of simulations. Second, `RNMC` has a focus on modularity; it is designed such that users can quickly develop new types of kMC simulations using a common core library. The simulation modules already implemented in `RNMC` provide unique capabilities that are not widely available in other open source codes. -`NPMC` is specifically designed for 3D simulations of the complex photophysical interaction networks in nanocrystals,[@teitelboim2019energy] particularly multi-domain heterostructures whose optical properties cannot be calculated deterministically.[@skripka2023NL] -`NPMC` can be used to simulate energy transfer interactions between dopants in nanoparticles, their radiative transitions, and nonlinear processes such as upconversion [@chan2015combinatorial] and photon avalanching.[@skripka2023NL] +`NPMC` is specifically designed for 3D simulations of the complex photophysical interaction networks in nanocrystals [@teitelboim2019energy], particularly multi-domain heterostructures whose optical properties cannot be calculated deterministically [@skripka2023NL]. +`NPMC` can be used to simulate energy transfer interactions between dopants in nanoparticles, their radiative transitions, and nonlinear processes such as upconversion [@chan2015combinatorial] and photon avalanching [@skripka2023NL]. `LGMC` is also somewhat unique in that it can simulate multi-phase systems and electrochemical processes. Simulations using `LGMC` can include a lattice region and a homogeneous solution region which can interact *via* interfacial reactions. -Electrochemcial reactions can be treated using Marcus theory[@marcus1965theory] or Butler-Volmer kinetics.[@newman2021electrochemical] +Electrochemcial reactions can be treated using Marcus theory [@marcus1965theory] or Butler-Volmer kinetics [@newman2021electrochemical]. Because it allows for a dynamic lattice region, `LGMC` is also appropriate for simulations of nucleation and growth, dissolution, precipitation, and related phenomena. -We have already used the `GMC` module in a number of prior works in applications related to Li-ion and Mg-ion batteries.[@spotte2022toward; @barter2023predictive; @spotte2023chemical] We note that these simulations included tens of millions of reactions, demonstrating that `RNMC` is able to scale to large and complex reaction networks. In addition, we have used `NPMC` to perform Bayesian optimization of upconverting nanoparticles.[@xia2023accelerating] +We have already used the `GMC` module in a number of prior works in applications related to Li-ion and Mg-ion batteries [@spotte2022toward; @barter2023predictive; @spotte2023chemical]. We note that these simulations included tens of millions of reactions, demonstrating that `RNMC` is able to scale to large and complex reaction networks. In addition, we have used `NPMC` to perform Bayesian optimization of upconverting nanoparticles [@xia2023accelerating]. # Acknowledgements diff --git a/paper.pdf b/paper.pdf index edb9f58b46f7e49eae30a4e8a08fa7c82425368b..dd4880b8dc3ab77bcf3ee26cea9cf734cba179c9 100644 GIT binary patch delta 38353 zcmcG#Wmuijk}k-G;1=A1ySux)ySuwPo8ZBHSoCqQs_cMDF?00C}#PM_{G-81*j zGtbjM>#eF)Ro{Bok5%=pl^3MjSEL3KL`Zfn5P$;;6L={&7H`h$_Vj}A7QDKNL!uho zq{e%*IlK^z8p@l-`dBzV{Cj`L+vS@{qVwFsgw!B1MQ0P`FIRY&(8d&HBZ@yy!XK(a zheyUA_mXMMXGPuUQfo0}u7H|ozmmjyk_b6-8{fZK-`5=2G_`#IF3c4bn$K_~3 zF6~?X7+(Ll&6^*J#w>AzqRI(}=47Wz-M%;>RSLu$)4dp5hq>dB27P`H!7#SgwL@hu z1?r+7Zz!0*rXn@(AQ&l`nS|*(n%>I5o5+gIG=R+zT(RV}5Kdo-BA&CJ_+kW{Q%)|$ z%f@uHSF0jQRrb(l^IdQ#&qgn-BW#{%51{n?0si>kzln{FA21o~IaX}+iF41^%FY?S zKPA)83Db6`1nZNK;O)9@e}(z13u6TQ1Qa<$Myxq^YZbHm{&;j!3i1VH!!(5EYX^j+ zRqnnX#h{Z?8qq3)I%$L()}G`=r?9ejt(kuCJ@YRfT*5Qe^g$5e|2a9D5N1MU`2dBm zq@9uo*BTcX#1v343@&}MA+LcV5r?W1U{R!d?H_MxKsy5!Eqj#06@(IUrZ;Xw0L{ov 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