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Our project partners at Helmholtz Institut Ulm are seeking a "Physicist, Mathematician, Engineer (m/f)" to work on the new SimBa-project.READ MORE
QuantumWise will be at the E-MRS Fall Meeting (European Materials Research Society) in Warsaw, Poland on 18 Sep - 21 Sep.
There will be so many opportunities to meet! Petr and Daniele from QuantumWise will provide training at the EMMC workshop, present QuantumWise, ATK and VNL at the Exhibitor Symposium and give two scientific contributed talks (see information below).READ MORE
A bugfix update to VNL-ATK 2017 has been released (version 2017.1).READ MORE
QuantumWise will be at the SISPAD 2017 Conference (International Conference on Simulation of Semiconductor Processes and Devices) in Kamakura, Japan on 7 Sep - 9 Sep. You can meet Kurt Stokbro (CEO and founder of QuantumWise) during the Conference.READ MORE
QuantumWise will be at the MCACM Symposium (International Symposium on Multiscale Computational Analysis of Complex Materials) in Lyngby, Denmark on 29 Aug - 31 Aug. You can meet Kurt Stokbro (CEO and founder of QuantumWise) during the Symposium.READ MORE
A new paper using ATK has been published in Phys. Rev. B  as a product of collaboration between QuantumWise and a group of researchers at the Technical University of Denmark. The paper presents a new method, MD-Landauer, combining Green's function transport and molecular dynamics (MD) for reliable and efficient calculations of resistivity and mobility including the effect of electron-phonon couplings (EPCs), which plays a central role in the performance of most electronic devices.READ MORE
See our projects page for more information on QuantumWise receiving a business innovation grant under H2020 to further develop Virtual Nano Lab (VNL).READ MORE
See our projects page for more information on the SimBa project lead by QuantumWise and aimed at developing a commercial multi-scale simulation tool for battery research and development.READ MORE
QuantumWise will be at the WATOC 2017 Congress (11th Triennial Congress of the World Association of Theoretical and Computational Chemists) in Munich, Germany on 27 Aug - 1 Sep. You can meet Jess Wellendorff and Ulrik G. Vej-Hansen from QuantumWise at booth #03. Moreover, Jess and Ulrik will have poster presentations.READ MORE
IBM Research at Albany Nanotech has recently published work with ATK investigating four novel metal nanowires as back-end-of-line interconnects.READ MORE
QuantumWise will host a free webinar on the release of ATK-VNL 2017.READ MORE
Anders Blom will give a talk at IEEE Nano 2017 in Pittsburgh, Pennsylvania on July 25-28.READ MORE
Researchers at QuantumWise in collaboration with Aalto University and University of Iceland have developed a new method for the first-principle simulation of surfaces using ATK. arXiv:1707.02141 [cond-mat.mtrl-sci]
Welcome to the official release of VNL-ATK 2017! This version features, among many other things, improved performance and new features for electron-phonon calculations, two methods for accurate band gaps of semiconductors and oxides, and new defaults for better out-of-the-box accuracy! Read more below!READ MORE
We have extended the deadline for our open position as a GUI software developer.
The extended deadline is June 14.READ MORE
QuantumWise will be at the E-MRS Spring Meeting in Strasbourg, France on May 22-26, where Umberto Martinez will give a talk.READ MORE
Anders Blom will give an invited talk at the 2nd Annual International Workshop, "Towards Room Temperature Superconductivity: SUPERHYDRIDES and MORE" in Orange County, California on May 8-9.READ MORE
Researchers in QuantumWise developed a new method towards the determination of the optimal supercell representation of interfaces using VNL .READ MORE
QuantumWise is seeking a GUI software developer and a scientific communication specialist for our office in Copenhagen, Denmark.
To read more about these positions, please follow the links below. All positions are permanent.
Deadline May 28, 2017READ MORE
Researchers at the Department of Electronic Systems Engineering, Indian Institute of Science published a new paper conserning the simulations of asymmetric junctions in Metallic-Semiconducting-Metallic (MSM) Heterophase MoS2 using ATK .READ MORE
A new paper using ATK has been published in Applied Physics Letters, discussing interface band gap narrowing behind open circuit voltage losses in Cu2ZnSnS4 solar cells. It is written in collaboration between QuantumWise and a group of researchers as the Technical University of Denmark.READ MORE
A bugfix update to VNL-ATK 2016 has been released (version 2016.4).READ MORE
QuantumWise will give the hands-on tutorial "Virtual NanoLab interface to FHI-aims" at the workshop: "Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science” that will be held from July 31 to August 11, 2017, at Humboldt University Berlin.READ MORE
QuantumWise is happy to announce that we will host a free webinar on atomistic simulations of thermal transport across materials interfaces using the Virtual NanoLab (VNL) and ATK-Classical software.READ MORE
Two-dimensional materials are promising candidates for future electronic devices with properties that can be tuned by the electrostatic and dielectric environment. One of the applications is to use a gate to tune the electron-phonon coupling in order to control the carrier density precisely. Recently, researchers at the Technical University of Denmark published an article in Physical Review Letters 118, 046601 (2017) that describes a new flexural-phonon scattering mechanism induced by the electrostatic gating of a graphene device .READ MORE
QuantumWise will be at the EMA 2017 conference, where Anders Blom will give a talk.READ MORE
QuantumWise is happy to announce that we will host a webinar to give you an introduction to Molecular Dynamics (MD) simulations using the Virtual NanoLab (VNL) and ATK-Classical software.READ MORE
Today’s chemists, physicists, material scientists, and engineers embrace the use of graphical user interfaces (GUI) in their everyday research and design workflow.
Virtual NanoLab (VNL) works as a GUI for Atomistix ToolKit (ATK), QuantumEspresso, VASP, FHI-Aims, GPAW, LAMMPS, and various other atomic scale simulations codes. VNL, used by over 3500 scientists across the world, is free for academic users. We want to encourage professors to use VNL in their courses, and help students on their journey to understanding the quantum world.
Dear friends of ATK, VNL, and QuantumWise,
We send you our warmest greetings for the Holiday Season and look forward to seeing you all in 2017.
Greetings from the QuantumWise team.READ MORE
We are very happy and proud to announce that for the second year in a row, QuantumWise has been nominated as a Gazelle company by the Danish newspaper Børsen.READ MORE
QuantumWise will be at the SISC 2016 conference in San Diego, CA, on December 8-10.READ MORE
We in QuantumWise are really happy and proud to inform you all that QuantumWise has been awarded to be one of the best workplaces in Denmark in 2016 by the consultancy company Great Place to Work.READ MORE
A bugfix update to VNL-ATK 2016 has been released (version 2016.3).READ MORE
QuantumWise will be at the MRS Fall Meeting in Boston, Massachusetts on November 27 - December 1. You can meet Umberto and Sam at booth #823. Moreover, Umberto will give an oral presentation, please see below.READ MORE
Previous research have posited that amorphous Selenium has a chain-like structure, independent of the manufacturing processes. However, a recent study in a collaboration between experimental teams from Stony Brook University and Oak Ridge National Laboratory found that the structure of amorphous Selenium (a-Se) films manufactured by vapor deposition (VD) and melt-quenched (MQ) processes are predominantly composed of ring-like and chain-like molecules, respectively. Given that no experimental technique is able to query the detailed three-dimensional atomic arrangements in glassy semiconductors, scientists are hoping that simulations can offer more evidence and structural detail.READ MORE
Kurt Stokbro will give a talk at the International Conference "Dynamics of Systems on the Nanoscale" (DySoN 2016), which will be held in Bad Ems, Germany 3rd-7th October, 2016.READ MORE
In cooperation with the Fraunhofer Institute, QuantumWise Japan organizes an introductory seminar on ATK-Classical on Tuesday November 8 in Tokyo (Japan).READ MORE
A bugfix update to VNL-ATK 2016 has been released (version 2016.2).READ MORE
Fermitech and QuantumWise will do a VNL-ATK Workshop in Beijing, China on October 21-24 at Peking University.READ MORE
Recently, researchers at The Pennsylvania State University published an article in Nature Materials about the first realization of two-dimensional gallium nitride, which completed the gap between the theoretical prediction of 2D nitrides ‘beyond hBN’ and experimental realization.
In this article, ATK has been integrated with an experiment to help with the calculation and analysis of the electronic properties.
QuantumWise is partnering with Sabalcore to provide cloud-based access to ATK with a pay-as-you-go licensing scheme.READ MORE
For the last month, PhD-student Francesco Naccarato of University of Luxembourg has been visiting QuantumWise. He has spent one month of his PhD with us in the frame of the EJD-FunMat network.READ MORE
QuantumWise will participate with two contributions at the next International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) forum in Nuremberg, Germany.
One research study that will be presented is done in collaboration with DTU Nanotech and describes a new NEGF method applied to the CZTSe/CdS interface for photovoltaic applications.
A second work will present the analysis of different metal-InGaAs interfaces and the calculated contact resistances.
QuantumWise Japan KK will participate in the IEEE Nano 2016 conference in Sendai, Japan, on August 22-25.
A VNL and ATK hands-on tutorial is organized on Monday 22nd at 9:30 AM.
Anders Blom will also give a talk with title "Atomistic Approach for Modeling Metal-Semiconductor Interfaces" at 11:30 on Thursday August 25, 2016 (ThAM15).
Welcome to the official release of VNL-ATK 2016! This version features, among many other things, better parallel performance, improved DFT accuracy, a new MD framework, as well as a very exciting new NEGF algorithm for surface calculation - and it's available also for Mac! Read more below!READ MORE
Kurt Stokbro will participate in the ICTP College on Multiscale Computational Modeling of Materials for Energy Applications in Trieste, Italy on July 4-15.READ MORE
In the article "General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function" published in Physical Review B, researchers from QuantumWise A/S demonstrate a new method for modeling metal-semiconductor contacts, which includes all the relevant ingredients required to describe metal-semiconductor interfaces realistically. Moreover, it allows for a direct comparison between theory and experiments via I−Vbias curve simulations. An online case study with all scripts is now available for all ATK users, making the results of the article fully reproducible.READ MORE
QuantumWise will participate in the NVM Workshop New Horizons for Memory Storage: Advancing Non-volatile Memory with Atomistic Simulations where Anders Blom will give an invited talk titled "Extended horizons: true atomistic simulations of junctions, interfaces and surfaces".READ MORE
QuantumWise will participate in Nanotech France 2016 in Paris, France, on June 1-3. You can find us at booth #9 for a live demo of Virtual NanoLab and Atomistix ToolKit.
We will also hold two talks about metal semi-conductor interfaces for solar cells and energy storage applications. More information below.READ MORE
QuantumWise is happy to invite you to an ATK and VNL hands-on workshop on atomic scale modeling of nanomaterials in our offices in Copenhagen on August 19, 2016.READ MORE
QuantumWise A/S is seeking two scientific software developers and one IT specialist for the office in Copenhagen, Denmark. Extended deadline for the position as scientific specialist in atomic scale modeling for QuantumWise Japan KK in Tokyo, Japan.READ MORE
In this new tutorial, you will be introduced to one of the most important functionalities in Atomistix ToolKit (ATK), namely electron transport calculations.READ MORE
Check out how the new inelastic transmission spectrum module in ATK has been succesfully applied to probe electron-phonon excitations in molecular junctions.
The work has been published in the Scientific Reports journal and is a collaboration between QuantumWise and the MPQ and ITODYS laboratories at Université Paris Diderot.
Reference: Scientific Reports 6, 20899 (2016)
You can follow us here: @QuantumWise.
QuantumWise will participate in the DPG Spring Meeting in Regensburg, Germany, on March 6-11.READ MORE
QuantumWise is seeking a scientific team member for our office in Japan.READ MORE
We are happy to announce that there are now more than 1,000 publications based on ATK in the publication list, which has recently been updated.READ MORE
CEO Kurt Stokbro will participate in nano tech 2016 - The 15th International Nanotechnology Exhibition & Conference in Tokyo, Japan, on January 27-29, 2016. The conference is part of the programme on the NANOTECH Cluster SME Mission arranged by the EU-Japan Centre for Industrial Cooperation, and you can find them at booth 6T-11.READ MORE
A new paper has been published by researchers at Tokyo University of Science on "Carrier localization length in edge-disordered graphene nanoribbons with sub-100 nm length". It uses ATK-SemiEmpirical (Slate-Koster tight binding) for the calculations and has over 15,000 atoms included in one system. As far as we know, this is the largest system ever studied with ATK-SE!READ MORE
A new ATK paper has been published in a collaboration between QuantumWise and DTU Nanotech, with the title "First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials".READ MORE
A new portal for ATK and VNL documentation is now online, including tutorials, manuals, case studies, and much more.READ MORE
QuantumWise is very happy to wish all of you very happy holidays, and we look forward to talking to all of you again in 2016.READ MORE
The Bi2Se3 material is a 3D strong topological insulator, and you can use ATK to show this using first-principles modeling! Learn how to use DFT with spin-orbit coupling to calculate the topologically protected surface states and investigate spin-circles on the Dirac cone.
A new combined experimental and theoretical study publised on ACS Applied Materials and Interfaces is now available online at this link: http://pubs.acs.org/doi/10.1021/acsami.5b08966READ MORE
A new scientific paper has been published in Computational Materials Science 112, 263 (2016) in a collaboration between QuantumWise, the University of Bremen, and Stanford University.
The paper is titled "The effects of uniaxial and biaxial strain on the electronic structure of germanium", doi:10.1016/j.commatsci.2015.10.023.
The 2015.1 update for Virtual NanoLab and Atomistix ToolKit is now available for download. This release fixes a few smaller and larger bugs.READ MORE
QuantumWise will be present at the IWSPD 2015 conference in Bangalore, India on December 7-10, 2015, and CEO Kurt Stokbro will give an invited talk with the title "Atomic-scale modelling for device and process simulation". The talk will take place on Wednesday 9th at 11:00 in Hall 2 of the J N Tata Auditorium.READ MORE
A new scientific paper has been published in Physics Review B in a collaboration between QuantumWise and the University of Delaware, with the title "Nonequilibrium spin texture within a thin layer below the surface of current-carrying topological insulator Bi2Se3: A first-principles quantum transport study".READ MORE
QuantumWise is very happy to announce that we have been elected a 2015 Gazelle company by the Danish newspaper Børsen.READ MORE
QuantumWise is happy to announce that Virtual NanoLab (VNL) is now free for academic users!READ MORE
Our latest study on III–V semiconductor quantum wells which provides a rigorous assessment of III–V semiconductor band structure calculation methods and calibrated band parameters for device simulations will be published in Solid-State Electronics.READ MORE
On 23rd of October, CEO Kurt Stokbro did a VNL-ATK workshop at Huazhong University of Science & Technology in Wuhan, China.READ MORE
Welcome to Virtual NanoLab and Atomistix ToolKit 2015! This newest version of the QuantumWise atomic-scale modeling platform contains a fantastic set of performance updates (in particular for parallel execution) and many exciting new features, like electron-phonon interaction, a new Job Manager, and a long range of analysis functions for molecular dynamics simulations, just to mention a few.READ MORE
Throughout the rest of the year, QuantumWise is doing a collaboration with a group of master students from Aalborg University in order to improve the user experience of our homepage as well as Virtual NanoLab.READ MORE
Kurt Stokbro will be at the CECAM workshop Development of next generation accurate approximate DFT/B methods in Bremen, Germany on October 11-15, 2015.READ MORE
QuantumWise is now seeking new scientific team members for the development and support teams in Copenhagen, Denmark.READ MORE
Quantumwise will participate in the ESSCIRC/ESSDERC conference in Graz, Austria, on 14-18 September 2015. Troels Markussen and Umberto Martinez Pozzoni will give a hands-on tutorial on September 18th at 13:45 with the title “Demonstration and hands-on tutorial of atomic-scale simulation with ATK".READ MORE
QuantumWise will go to the Carbonhagen 2015 6th symposium on carbon and related nanomaterials in Copenhagen 13-14th of August. Anders Blom will give a short presentation on August 13th in the afternoon, and we will also have a booth during the symposium, where you can have a chat with Jess and Umberto about our software.READ MORE
An update VNL-ATK 2014.3 is now available for download. The new version introduces a variety of bug fixes.READ MORE
Anders Blom will give a talk about First-Principles Simulations of Nanoscale Transistors at SISPAD 2015, which takes place in Washington, DC, from the 9th to 11th of September.READ MORE
QuantumWise will be present at the International Symposium on Nanoengineered Composites on July 15-17 in Roskilde, Denmark, where Julian Schneider will give a talk about Atomic-scale simulations of mechanical and thermal properties of composite materials using the Atomistic ToolKit (ATK). Julian's talk takes place on Thursday, July 16 from 11:30-11:50.READ MORE
QuantumWise will be at the IEEE Nano 2015 conference in Rome, Italy from 27th to 30th of July.
You will be able to participate in the hands-on tutorial by Umberto Martinez, which will be held on Monday the 27th from 16:00-19:00 in Room 8, with the title "Multiscale atomistic simulations with Atomistix Toolkit". Please see the detailed description below.READ MORE
Umberto Martinez will give a talk about Transport Properties of Nanoscale TFET by Atomic Scale Simulations at Nanotech France 2015, which takes place in Paris, France, from 15th to 17th of June. Umberto's talk will be held in the Session III: Nano Electronics on Tuesday the 16th from 11.15.READ MORE
Kurt Stokbro will give an invited talk at the CECAM workshop about Future Technologies in Automated Atomistic Simulations, which takes place in Lausanne, Switzerland, from the 8th to the 10th of June. The talk has the title Virtual NanoLab, an extendible materials simulation platform, and will be held on Monday the 8th in the morning.READ MORE
Anders Blom will give an invited talk at the CMOS Emerging Technologies Research conference in Vancouver, Canada, which takes place from 20-22 of May. Anders' talk will be on Wednesday at 10:30 am and has the title First-principles Simulations of Semiconductor Materials and Devices - Recent Progress and Remaining Challenges.READ MORE
Former Vice President of Hewlett-Packard and Cadence Patrick Scaglia is a new member of the board of the Danish company QuantumWise A/S, whose products are used today by the world's electronics giants for computer simulations of new electronic circuits on the nanoscale.READ MORE
A survey was sent out over the weekend to a large number of ATK and Virtual NanoLab users, mainly to persons who requested a trial license.
We hereby confirm that the email is not spam, and it is correct that you can obtain an extended trial license by completing the survey.
The survey was formulated by a small group of master students from Judge Business School in Cambridge, UK, who work as consultants for QuantumWise. Unfortunately, they didn't double-check the content of the email and survey with us before sending it out, resulting in a misspelling of Virtual NanoLab throughout the email and survey, and other minor mistakes.
Despite these unfortunate mistakes we appreciate all completed forms, which we can use to improve the quality and user experience of our products. If you have additional questions about the survey, please contact .READ MORE
An update to VNL-ATK 2014 is now available for download. The new version introduces a wide variety of smaller bug fixes, and some improved features.READ MORE
QuantumWise gives you some tools to enjoy a peaceful holiday time with you family...READ MORE
Researchers from California and Singapore recently published a paper on Magnetocrystalline anisotropy and switching magnetic tunnel junctions using ATK for noncollinear transport calculations. (Zhaoqiang Bai, Lei Shen, Yongqing Cai, Qingyun Wu1, Minggang Zeng, Guchang Han & Yuan Ping Feng, New J. Phys. 16 (2014) 103033).READ MORE
Did you visit the tutorial section called Virtual NanoLab for other codes? If you do now, you will find two categories: Virtual NanoLab for VASP and the new category: Virtual NanoLab for LAMMPS.READ MORE
Two addons have been updated for VNL 2014.READ MORE
VNL-ATK 2014 is now available for download. The new release introduces a wide variety of new and improved features.READ MORE
QuantumWise proudly presents QuantumWise.com in a new design. The core reasons to relaunch the web site were to increase usability and to strenghen the corporate identity of QuantumWise online. Especially, we wanted to make it easier how to find relevant tutorials! Now the new homepage is here with lots of new tutorials too, so please check them out.READ MORE
Check out the paper "Improved initial guess for minimum energy path calculations" J. Chem. Phys. 140, 214106 (2014) by Søren Smidstrup, Andreas Pedersen, Kurt Stokbro and Hannes Jónsson which is available on-line!READ MORE