草榴社区

"QuantumATK  together with NanoLab  is an outstanding package opening the possibility to gain insights in the design and understanding of spintronic devices by including non-collinear spin options and spin-orbit interactions in the transport calculations."

Latest publication with QuantumATK: A.C. Aragonès. N. Darwish, S. Ciampi, L. Jiang, R. Roesch, E. Ruiz, C. A. Nijhuis, and I. Diez-Pérez, “Control over Near-Ballistic Electron Transport through Formation of Parallel Pathways in a Single-Molecule Wire”,

Dr. Eliseo Ruiz | University of Barcelona 

“I started experimenting with ATK-VNL [QuantumATK package including NanoLab]  over 6 years ago for computing IV characteristics in simple graphene-based devices, and I must say that the platform has come of age since. It has become a must-use tool for our rapid prototyping of conventional and unconventional electronic/optical transport nano-devices, and for training students and postdocs on the foundations and challenges of band structure, transmission spectra, conductance, and tunneling current/voltage properties using first-principles quantum mechanics methods. The convenience of the single entry VNL [NanoLab] platform to design, build, launch calculations, and characterize molecular systems using intuitive workflows and analysis tools is terrific once you’re familiar with it! We’re now looking forward to expanding its use in multiscale coupled calculations involving the recently integrated classically approximated potentials (force fields) - including our own group's reactive force field method, ReaxFF. On a final note, I must say that the team at QuantumWise [草榴社区 QuantumATK Team]  have always been very receptive to our suggestions and diligent in providing useful feedback to our many technical queries; which speaks to their commitment towards developing a unique, user-friendly, application-driven computational chemistry platform.”

Dr. Andres Jaramillo-Botero | California Institute of Technology | 2015

“I’ve used a lot of codes for MD, DFT and semi-empirical total energy and transport calculations in the past and I can easily say that QuantumWise ATK  [草榴社区 QuantumATK]  is better by a huge margin. The reason is that it combines an incredibly easy to use GUI with a very powerful Python scripting capability and incredible post-processing capabilities, all in one neat package. Prior to using ATK  [QuantumATK] , I spent countless hours creating interfaces by hand, visualizing them using freely available tools and then running them and post-processing them using other tools. By combining all of this into a fast, accurate, and easy to use code, the folks at QW [草榴社区 QuantumATK]  have done an incredible service to people in the computational material science business.

I would also commend the folks at QW  [草榴社区 QuantumATK Team]  for the tremendous job they do with answering general user and paid customer questions, and the lightning fast turnaround time for new features and requests.

I wholeheartedly recommend ATK  [QuantumATK]  for anyone involved in computational material science, be it beginners, amateurs or power users.”

User from Semiconductor industry

“QuantumWise [草榴社区 QuantumATK Team] has managed the tour-de-force of blending high performance material modeling techniques (combining solid state physics, chemistry and molecular dynamics) with user-friendliness. This opens the way to users, interested in but not comfortable with material modeling techniques to gain quite easily insights into the properties of matters.

The benefit of this package does not stop there, since the flexibility of both their graphical interface (VNL) [NanoLab]  and of their NanoLanguage are also very much suited for advanced users, where automation of tasks is often very much needed. For instance, once properly interfaced with the NanoLanguage, repetitive actions (convergence tests, geometry relaxation, ...) can be fully automated, freeing time to focus on the analysis of results instead of on task.

Further, the combination of the non-equilibrium Green's function formalism with density functional theory has proved to be useful to understand the relation between material interfacial properties and the performances of nanoscaled electronic devices by quantifying, for example, their electron tunneling process, contact resistance, ...

So, to the QuantumWise team [草榴社区 QuantumATK Team] : please, continue, you are on the right track. “

Dr. Geoffrey Pourtois

“At IMI, ab initio techniques are coupled with high-performance combinatorial experimentation to navigate the vast phase space of materials. As a company that develops novel material stacks for different technologies, IMI uses numerous simulations tools to investigate potential solutions. We rely upon the VNL [QuantumATK NanoLab] front-end to prepare and analyze atomic-level simulations prior to DFT calculations, which can be run with either ATK [QuantumATK]  or other commercial codes. VNL [NanoLab] provides the level of functionality and versatility that we need. QuantumWise  [草榴社区 QuantumATK] customer support has been very prompt in helping us create complex custom plug-ins.

VNL [NanoLab] provides functionality both for designing arbitrarily complex, realistic geometries, and for analyzing and visualizing the results of a wide range of simulations. This allows us to rapidly create the structures that are being investigated experimentally, to import the data from internal and external databases for efficient simulations setup and analysis, and to efficiently relate the simulations results to the experimental data. Additionally, ATK  [QuantumATK]  provides features missing in many other codes, including characterizing transport and tunneling-dominated materials properties.”

Dr. Sergey Barabash | Intermolecular Inc. 

"Since we started using ATK [QuantumATK]  in 2010 it became an essential tool for our research. It did a great job for my PhD work about electronic transport in carbon nanotubes with metal contacts [1] and we continue to use ATK [QuantumATK]  in various projects about different aspects of electronic structure and quantum transport in carbon nanotubes [2-5].
During the years QuantumWise [草榴社区 QuantumATK Team]  has put great efforts into extending the feature set and usability of ATK [QuantumATK]   and VNL [NanoLab]  .
Based on our experience, there are several reasons why ATK [QuantumATK]  can be considered the best tools for electron transport simulations at the atomistic scale:
It is comparably easy to learn (due to the graphical user interface VNL [NanoLab]).
It is quite easy to use (again due to VNL [NanoLab]).
It has a powerful scripting interface.
The customer support is really great.

Especially the scripting interface is something I personally enjoy very much. It is based on Python, a powerful yet easy to learn scripting language, which provides a large set for tools for pre- and post-processing of your data. It provides absolute control over your simulation tasks and makes it relatively easy to set up complex simulation work flows."
[1] Zienert et al., Nanotechnology 25, 425203 (2014)
[2] Fuchs et al., Microelectron. Eng. 137, 124 (2015)
[3] Zienert et al., Microelectron. Eng. 106, 100 (2013)
[4] Zienert et al., J. Phys. Chem. A 117, 3650 (2013)
[5] Zienert et al., Phys. Stat. Sol. B 247, 3002 (2010)

Dr. Andreas Zienert  | Technische Universit?t Chemnitz

"I recently purchased the ATK/VNL package  [QuantumATK package including NanoLab]. Due to the expertise and helpfulness of the vendor the transfer of the program to my local machines was smooth and efficient. From my experience, the constant availability of QuantumWise staff for questions and concerns during the installation phase is exemplary. I enjoy using the convenient VNL  [NanoLab]  interface as I continue exploring the unique spin transport features of the ATK  [QuantumATK]  program."

Dr. Frank Hagelberg | East Tennessee State University 

"More than five years of experience with ATK  [QuantumATK]   give us possibility to explore many exciting features of this toolbox. Broad material database, year to year expanded portfolio of models including molecular dynamics and spin dependent behavior. ATK  [QuantumATK]   is a very convenient and useful tool for theoretical analysis at the nanoscale!"

Dr. Jan Voves  | Czech Technical University  

"The interface is great for visualizing and manipulating semiconducting material to build the system of your interest. Analysis tools provide a very detailed view of the system electronic and conductive properties. Tutorials are very helpful in getting started and refreshing ideas. The tool is powerful, but customer and technical service is outstanding."

Prof. Pedro Derosa | Louisiana Tech University