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Making an Impact
Advanced Theory and Simulations ( IF 3.3 ) Pub Date : 2021-01-14 , DOI: 10.1002/adts.202000317
Stefan Spiegel

Since its launch only three years ago, our journal Advanced Theory and Simulations (ATS) has quickly developed into a fully fledged publication platform for the highest‐quality research work on theoretical methods, modeling, and simulation approaches in all areas of natural science and medicine.

In this context we were especially happy that ATS was accepted into the Web of Science (Clarivate Analytics) Science Citation Index Expanded and received its first Impact Factor in summer 2019, with a strong value of 2.951.

These developments, accompanied by increasing submission numbers, confirm the high quality of work published in the journal and the scientific community's recognition of ATS as an excellent channel for publishing and disseminating their newest research results—as well as Review articles—in a broad range of scientific fields but always with a strong emphasis on theory, modeling, simulation, computational, or mathematical aspects.

The broad spectrum of topics and of authors that were of highest interest to our readers in 2019/2020 is documented in the list of most read papers shown in Table 1, including themes such as nanoporous materials, chaotic dynamical systems, photovoltaics, and detection of the COVID‐19 virus.

Table 1. Most accessed articles published in Advanced Theory and Simulations in 2019/2020
Title Authors DOI
Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materials David Dubbeldam, Krista S. Walton, Thijs J. H. Vlugt, Sofia Calero 10.1002/adts.201900135
A New Pathology in the Simulation of Chaotic Dynamical Systems on Digital Computers Bruce M. Boghosian, Peter V. Coveney, Hongyan Wang 10.1002/adts.201900125
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica‐Exchange Peter V. Coveney, Herman Vlijmen, Laura Pérez‐Benito, Gary Tresadern, Shunzhou Wan 10.1002/adts.201900195
Experiment‐Oriented Materials Informatics for Efficient Exploration of Design Strategy and New Compounds for High‐Performance Organic Anode Hiromichi Numazawa, Yasuhiko Igarashi, Kosuke Sato, Hiroaki Imai, Yuya Oaki 10.1002/adts.201900130
Molecular Dynamics Simulations of the "Breathing" Phase Transformation of MOF Nanocrystallites Julian Keupp, Rochus Schmid 10.1002/adts.201900117
Machine Learning Stability and Bandgaps of Lead‐Free Perovskites for Photovoltaics Alessio Gagliardi, Felix Mayr, Jared C. Stanley 10.1002/adts.201900178
Benchmark of Simplified Time‐Dependent Density Functional Theory for UV‐Vis Spectral Properties of Porphyrinoids Thomas Heine, Kamal Batra, Stefan Zahn 10.1002/adts.201900192
Energy Absorption Properties of Periodic and Stochastic 3D Lattice Materials Jochen Mueller, Kathryn H. Matlack, Kristina Shea, Chiara Daraio 10.1002/adts.201900081
High‐Throughput Screening of Metal Organic Frameworks as Fillers in Mixed Matrix Membranes for Flue Gas Separation Hilal Daglar, Seda Keskin 10.1002/adts.201900109
Investigation of Plasmonic Detection of Human Respiratory Virus Ho‐pui Ho, Ken‐Tye Yong, Lixing Kang, Yan Guo, Chandreyee Manas Das 10.1002/adts.202000074

We also were impressed by the artistry and creativity of our authors when displaying scientific topics in an eye‐catching way on the covers of ATS. The full cover galleries can be found on the journal homepage, but we would like to present a few select examples from 2020 here (Figure 1).

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Figure 1
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A selection of Advanced Theory and Simulations cover graphics.

Last but not least, and on behalf of the entire editorial team, I would like to thank all those who make the ongoing impressive development of Advanced Theory and Simulations possible: a dedicated and truly interdisciplinary editorial board, the authors and referees who submit their research results and help to select and publish the best content, and of course our readers for their continued interest.

We hope that you have enjoyed the first three years as much as we certainly have, and that you will keep accompanying and supporting the journal on its future journey!

InlineGraphics

Stefan Spiegel

(Editor‐in‐Chief)



中文翻译:

产生影响

自三年前发行以来,我们的《高级理论与模拟》(ATS)杂志已迅速发展成为一个成熟的出版平台,可在自然科学和医学的所有领域中对理论方法,建模和模拟方法进行最高质量的研究。

在这种情况下,我们特别高兴的是ATS被Web of Science(Clarivate Analytics)接受,科学引文索引在2019年夏季得到扩展并获得了第一个影响因子,其强值为2.951。

这些发展,伴随着投稿数量的增加,证实了该期刊上发表的高质量作品,以及科学界对ATS的认可,认为ATS是发布和传播其最新研究成果(以及评论文章)的绝佳渠道,涉及范围广泛。科学领域,但始终侧重于理论,建模,模拟,计算或数学方面。

 1所示的大多数已阅读论文的列表中记录了2019/2020年读者最感兴趣的广泛主题和作者,包括纳米多孔材料,混沌动力学系统,光伏技术以及对COVID-19病毒。

表1.在2019/2020年发表在Advanced Theory and Simulations上的最多访问的文章
标题 s 土井
纳米多孔材料吸附原子力场的设计,参数化和实现 David Dubbeldam,Krista S.Walton,Thijs JH Vlugt,Sofia Calero 10.1002 / adts.201900135
数字计算机混沌动力学系统仿真的新病理学 布鲁斯·Boghosian,彼得·科韦尼,王鸿雁 10.1002 / adts.201900125
有和没有副本交换的炼金术相对自由能预测的准确性和精密度 Peter V. Coveney,Herman Vlijmen,LauraPérez-Benito,Gary Tresadern,顺州湾 10.1002 / adts.201900195
以实验为导向的材料信息学,可有效探索设计策略和高性能有机阳极的新化合物 沼泽弘道,五十岚靖彦,佐藤浩介,今井弘明,大矢优弥 10.1002 / adts.201900130
MOF纳米微晶“呼吸”相变的分子动力学模拟 朱利安·基普(Julian Keupp),罗克斯·施密德(Rochus Schmid) 10.1002 / adts.201900117
光伏用无铅钙钛矿的机器学习稳定性和带隙 Alessio Gagliardi,Felix Mayr,Jared C.Stanley 10.1002 / adts.201900178
卟啉类化合物的紫外-可见光谱特性的简化时变密度泛函理论的基准 Thomas Heine,Kamal Batra,Stefan Zahn 10.1002 / adts.201900192
周期性和随机3D晶格材料的能量吸收特性 Jochen Mueller,Kathryn H.Matlack,Kristina Shea,Chiara Daraio 10.1002 / adts.201900081
高通量筛选金属有机框架作为烟道气分离用混合基质膜中的填料 塞拉·凯斯金(Honda) 10.1002 / adts.201900109
人呼吸道病毒血浆检测的研究 何浩培,永坚泰,康立行,郭艳,钱德里·玛纳斯·达斯 10.1002 / adts.202000074

当我们在ATS的封面上以醒目的方式展示科学主题时,我们的作者的艺术性和创造力给我们留下了深刻的印象。完整的画廊可以在期刊的主页上找到,但是我们想在这里展示一些2020年的例子( 1)。

图片
图1
在图形查看器中打开微软幻灯片软件
一系列高级理论和仿真涵盖了图形。

最后但并非最不重要的一点是,我谨代表整个编辑团队感谢所有使高级理论和模拟的持续令人印象深刻的发展成为可能的人:一个敬业的,真正跨学科的编辑委员会,提交研究报告的作者和裁判结果并帮助选择和发布最佳内容,当然还有我们的读者对于他们的持续关注。

我们希望您喜欢我们最初的三年,并希望在以后的旅程中继续为您提供支持和支持!

内联图形

斯蒂芬·斯皮格尔(Stefan Spiegel)

(主编辑)

更新日期:2021-01-14
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