Theory, Simulation, and Computation in Nanoscience and

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Theory, Simulation, and Computation in Nanoscience and Nanotechnology

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now generated by both modern simulations and experiments, allowing us to both ask and answer important questions in nanoscience that would have been impossible just a few years ago. The next decade promises extraordinary advances in theory, simulation, and computation as new algorithms, methods, tools, and architecturesas well as a new generation of computational and data scientistsappear on the scene. We hope you will consider submitting your most exciting theoretical, simulation, and computational papers to ACS Nano.

ith advances in high-performance computing, new algorithms, and data science, theory, simulation, and computation continue to partner with experiment in discovery and innovation in nanoscience and nanotechnology. The past decade has seen breakthroughs in our ability to predict everything from quantum phenomena to self-assembly. Whereas, a decade ago, joint papers in the literature containing experiment and simulation were less common, ACS Nano now routinely receives papers combining theory, computation/ simulation, and experiment in an integrative way. Such integration enables breakthrough discoveries and understanding of nanoscale phenomena in ways that would be impossible with just one approach. Moreover, theory, simulation, and computation often predict important behavior that can be subsequently tested experimentally, leading to new materials and technologies.

The next decade promises extraordinary advances in theory, simulation, and computation as new algorithms, methods, tools, and architecturesas well as a new generation of computational and data scientistsappear on the scene.

Theory, simulation, and computation often predict important behavior that can be subsequently tested experimentally, leading to new materials and technologies.

For examples of our highly cited theoretical and computational articles, be sure to check out the 10th anniversary virtual issue on this subject: Celebrating 10 Years of Theory & Simulations Research.1 It is one of a series of thematic virtual issues that we have assembled in celebration of our anniversary.2 Announcements. Next month, we will be celebrating the 10th anniversary of the publication of our first issue: at the national ACS meeting in Washington, DC, at noon on Monday August 21 at the ACS Booth (#1037), immediately preceding our joint symposium with Nano Letters on entrepreneurship; and at ChinaNANO in Beijing during the poster session on the evening of Wednesday, August 30. Both our award lectures and our editors’ meeting will again be held at ChinaNano. Please join and connect with us at one or both of these celebrations! As all our editors are active scientists and engineers, we frequently give lectures around the world; if you would like to know where to find us, look for the announcements on our Twitter account at @acsnano. We are delighted to announce the three winners of the 2017 ACS Nano Lectureship Awards: Prof. Hui-Ming Cheng of the Shenyang National Laboratory for Materials Science for the Asia/Pacific region, Prof. David Norris of ETH Zürich for Europe/Africa/Middle East, and Prof. Teri Odom of Northwestern University for the Americas. All three have been frequent contributors and advisors to ACS Nano. As noted above, the award and companion lectures will be given at ChinaNANO in Beijing next month.

Nanoscience and nanotechnology theory, simulation, and computation papers have made important contributions in the areas of energy storage, catalysis, nanomedicine, nanophotonics, 2D materials, and much more. At ACS Nano, we look for theory papers that will have transformational impact. A simple analysis of a previous experiment is not sufficient. Such analysis is best included along with the relevant experiment(s), which of course should be novel. We want our theory, simulation, and computation papers to be groundbreaking and generate great interest from experimentalists and theorists alike. Our theory, simulation, and computation papers should strive to open new avenues in nanoscience and stimulate significant research on the phenomena they predict or explain. At ACS Nano, we distinguish between theoretical and computational or simulationstudies. We welcome computational papers that propose novel and transformational algorithms that are of broad interest for the nano community. A straightforward computational study of the electronic or geometric structure of a material or nanoparticle belongs in a more specialized journal. Simple applications of existing methods to new materials are likely to be incremental rather than transformational and belong elsewhere. Over the next few years, ACS Nano anticipates a rapid rise in the use of machine learning, neural networks, and other data science methods applied to nanoscience and nanotechnology. Such computational approaches, while routine in some fields, are new and welcome tools in nanoscience. They enable novel and nontraditional interrogation of the massive amounts of data © 2017 American Chemical Society

Published: July 25, 2017 6505

DOI: 10.1021/acsnano.7b05028 ACS Nano 2017, 11, 6505−6506

Editorial

www.acsnano.org

ACS Nano



Editorial

AUTHOR INFORMATION

ORCID

Sharon C. Glotzer: 0000-0002-7197-0085 Peter Nordlander: 0000-0002-1633-2937 Laura E. Fernandez: 0000-0001-7927-2233 Notes

Views expressed in this editorial are those of the authors and not necessarily the views of the ACS.



The 2017 ACS Nano lectureship award winners are (left) Prof. Hui-Ming Cheng of the Shenyang National Laboratory for Materials Science for the Asia/Pacific region, (center) Prof. David Norris of ETH Zürich for Europe/Africa/Middle East, and (right) Prof. Teri Odom of Northwestern University for the Americas. They will give their lectures next month at ChinaNANO in Beijing, China. Photo credits (left to right): Shenyang National Laboratory for Materials Science, Selina Meier of Pix Studios, and Matthew Gilson.

REFERENCES

(1) http://pubs.acs.org/page/ancac3/vi/acsnano10_theory.html. (2) http://pubs.acs.org/page/ancac3/vi/index.html. (3) Wu, Z. S.; Ren, W. C.; Wen, L.; Gao, L. B.; Zhao, J. P.; Chen, Z. P.; Zhou, G. M.; Li, F.; Cheng, H. M. Graphene Anchored with Co3O4 Nanoparticles as Anode of Lithium Ion Batteries with Enhanced Reversible Capacity and Cyclic Performance. ACS Nano 2010, 4, 3187−3194. (4) Wu, Z. S.; Ren, W. C.; Xu, L.; Li, F.; Cheng, H. M. Doped Graphene Sheets As Anode Materials with Superhigh Rate and Large Capacity for Lithium Ion Batteries. ACS Nano 2011, 5, 5463−5471. (5) Xiao, H.; Wu, Z.-S.; Chen, L.; Zhou, F.; Zheng, S.; Ren, W.; Cheng, H.-M.; Bao, X. One-Step Device Fabrication of Phosphorene and Graphene Interdigital Micro-Supercapacitors with High Energy Density. ACS Nano 2017, DOI: 10.1021/acsnano.7b03288. (6) Leschkies, K. S.; Beatty, T. J.; Kang, M. S.; Norris, D. J.; Aydil, E. S. Solar Cells Based on Junctions between Colloidal PbSe Nanocrystals and Thin ZnO Films. ACS Nano 2009, 3, 3638−3648. (7) Wills, A. W.; Kang, M. S.; Khare, A.; Gladfelter, W. L.; Norris, D. J. Thermally Degradable Ligands for Nanocrystals. ACS Nano 2010, 4, 4523−4530. (8) Yoo, D.; Johnson, T. W.; Cherukulappurath, S.; Norris, D. J.; Oh, S. H. Template-Stripped Tunable Plasmonic Devices on Stretchable and Rollable Substrates. ACS Nano 2015, 9, 10647−10654. (9) Odom, T. W.; Nehl, C. L. How Gold Nanoparticles Have Stayed in the Light: The 3M’s Principle. ACS Nano 2008, 2, 612−616. (10) Babayan, Y.; McMahon, J. M.; Li, S.; Gray, S. K.; Schatz, G. C.; Odom, T. W. Confining Standing Waves in Optical Corrals. ACS Nano 2009, 3, 615−620. (11) Yang, A.; Li, Z.; Knudson, M. P.; Hryn, A. J.; Wang, W.; Aydin, K.; Odom, T. W. Unidirectional Lasing from Template-Stripped TwoDimensional Plasmonic Crystals. ACS Nano 2015, 9, 11582−11588. (12) Hu, J.; Liu, C.-H.; Ren, X.; Lauhon, L. J.; Odom, T. W. Plasmonic Lattice Lenses for Multiwavelength Achromatic Focusing. ACS Nano 2016, 10, 10275−10282.

Prof. Hui-Ming Cheng is director of the Advanced Carbon Materials Division of the Shenyang National Laboratory for Materials Science, of the Institute of Metal Research of the Chinese Academy of Sciences and Head of the Low Dimensional Materials and Devices of the Tsinghua−Berkeley Shenzhen Institute (TBSI). He focuses on carbon nanomaterials in energy storage and photocatalysis.3−5 Prof. David J. Norris is a Professor of Materials Engineering at the Swiss Federal Institute of Technology, ETH Zürich. He is also the Director of the Optical Materials Engineering Laboratory in the Department of Mechanical and Process Engineering. He and his group make semiconductor (quantum dot) and metal (plasmonic) nanomaterials with interesting and potentially useful properties.6−8 Prof. Teri Odom is the Charles E. and Emma H. Morrison Professor of Chemistry and Associate Chair of the department at Northwestern University. She is also the Associate Director of the International Institute for Nanotechnology and a Professor of Materials Science and Engineering. She is the Executive Editor of ACS Photonics and on the editorial advisory board of ACS Nano. She and her group develop nanofabrication tools to create three-dimensional functional structures that cross length scales. They probe interactions of light with these tailored structures and target applications in imaging, nanomedicine, photovoltaics, and sensing.9−12

Sharon C. Glotzer, Associate Editor

Peter Nordlander, Associate Editor

Laura E. Fernandez, Managing Editor 6506

DOI: 10.1021/acsnano.7b05028 ACS Nano 2017, 11, 6505−6506