Meet Petr Khomyakov from the Synopsys QuantumATK team at the E-MRS Fall Meeting in Warsaw, Poland on Sept 17-20.READ MORE
Join us for a free webinar on the 4th of October featuring a demonstration of the new framework in QuantumATK, IV Characteristics Study Object, for smart and efficient modeling of device IV electrical characteristics at the atomic scale.READ MORE
Service Pack QuantumATK O-2018.06-SP1-1 is now available for download on SolvNet.
Please use the O-2018.06-SP1-1 version instead of the O-2018.06-SP1 version. For more information about QuantumATK O-2018.06, see the main release letter.READ MORE
The Synopsys QuantumATK team will be at ESSDERC in Dresden, Germany on 3 - 6 September 2018.
Meet Ulrik Vej-Hansen and learn about using QuantumATK to model materials, nanostructures and nanoelectronic devices at the atomic scale and addressing critical materials issues in advanced semiconductor technology development!READ MORE
Accurate atomistic modelling of solar cells has so-far been prohibited since it requires simultaneous description of both electron-photon and electron-phonon interactions in the device. PhD student Mattias Palsgaard has overcome this problem by combining the Special Temperature Displacement approximation for electron-phonon interaction with a Non Equilibrium Greens Function (NEGF) description of electron-photon interaction. The method has been applied to silicon solar cell device geometries and the results are in excellent agreement with experimental data. The results are reported in the July edition of Physical Rev. Applied  and has been selected as the editors choice. The method enables new insight into solar cell devices, and the editor find that the “Excellent agreement with experiment shows that this method could be widely useful for physicists and engineers alike to benchmark tomorrow's optoelectronic devices” .READ MORE
A study published as a Letter in Nature , presents a new type of molecular junction that is more insulating than a vacuum region of the same dimensions as the active component. The effect is obtained by designing molecules with Quantum destructive interference, such that the molecules at relevant energies strongly suppresses electron conductance through the molecule. The transport calculations were performed using QuantumATK by Gemma Solomon’s group at the University of Copenhagen. Synthesis and experimental measurements of the conductance came from the groups of Shengxiong Xiao, Colin Nuckolls and Latha Venkataraman group at Shanghai Normal University and Columbia University. The molecules may find applications in thermo-electric devices or as insulators in electronic devices.READ MORE
Synopsys QuantumATK will be at the Nano Korea 2018 on 10-13 July.
Meet Maeng Eun Lee, Marcus Yee and Anders Blom at the Synopsys QuantumWise booth (J38) and learn about using QuantumATK to model materials, nanostructures and nanoelectronic devices at the atomic scale!READ MORE
Check out the recording and slides of our webinar highlighting the new features and functionalities of the newly released QuantumATK O-2018.06 software package for atomic-scale modeling (the full release letter can be found here).
Notice that VNL/ATK has a new name - QuantumATK. QuantumATK includes quantum mechanical methods such as DFT and semi-empirical models and the following modules: NEGF, ForceField, and NanoLab (former VNL). We are very excited as it is the first major release since we became part of Synopsys in Sep, 2017.READ MORE
Apply for a job as an Applications Engineer and become part of our team world leading experts in atomic-scale simulations who are developing the QuantumATK software.
Deadline - 29th of June, 2018.READ MORE
Welcome to the official release of QuantumATK O-2018.06! Notice that VNL/ATK has a new name - QuantumATK.
Please note that the Service Pack QuantumATK O-2018.06-SP1-1 was released on the 11th of September, 2018 and is now available for download on Solvnet. The List of all fixed bugs can be found in the release notes.
QuantumATK includes quantum mechanical methods such as DFT and semi-empirical models and the following modules: NEGF (Non-Equilibrium Green's Function), ForceField, and NanoLab (former VNL). We are very excited as it is the first major release since we became part of Synopsys in Sep, 2017. Check out the recording and slides of our webinar highlighting the new features and functionalities of QuantumATK O-2018.06.
This version features, among many other things, a large number of NanoLab updates, improved performance for periodic DFT and DFT-NEGF, a Plane-Wave simulation engine including a hybrid functional HSE06, a new Study Object framework to perform complex tasks such as device geometry optimization, obtaining IV characteristics, simulating neutral and charged point defects, and new defaults for better out-of-the-box accuracy! Read more below!
Check out the recording and slides of our webinar on simulating phonon-limited electron mobility of materials with the atomistic paramater-free method. Consider the phonon-limited electron mobility of a variety of materials and further improve the electrical performance of devices. For example, compare experimental and calculated mobilities of materials and decide if further optimization of fabrication techniques and device designs for these materials could More...improve the device performance.READ MORE
Synopsys QuantumWise will be at the E-MRS Spring Meeting 2018 in Strasbourg, France on 19-21 June, booth #71.READ MORE
Join us for a free webinar highlighting the new features and functionalities of the “soon to be released” QuantumATK O-2018.06 software package for atomic-scale modeling! The webinar will take place on the 13th of June. The QuantumATK O-2018.06 will be released in the beginning of June. We are very excited as it is the first release since we became part of Synopsys in Sep, 2017.
You can register here.READ MORE
Discover the new automatic low-strain interfaces via lattice matching method  in QuantumATK NanoLab (VNL-ATK 2017), developed in a collaboration between the Synopsys QuantumATK team and the Atomic-Scale Materials Design Group at Technical University of Denmark (DTU), lead by Prof. Karsten Wedel Jacobsen. The method combines two crystals into low-strain interfaces, based only on the materials bulk crystalline structure. As the size of electronic devices decreases, interfaces become an increasingly dominant part of the system. Avoiding large strain at the interface is important, as its presence could result in defects and reconstructions, limiting the electronic device performance.READ MORE
Join us for a free webinar on best practices for software development, in which Kurt Stokbro from Synopsys QuantumATK Team will be one of the presenters. The webinar is organized by European Materials Modelling Council (EMMC), a network to coordinate European materials modelling activities. You can register here.READ MORE
Curious how to simulate nanoscale processes, such as thermal transport in crystals and nanostructures, microscopic creep on polycrystalline materials, thin film growth with vapor deposition and much more at the atomic scale? Check out our new open-access publication "ATK-Force Field: a new generation molecular dynamics software package" , published in the journal Modelling and Simulation in Materials Science and Engineering (MSMSE) and selected for inclusion in MSMSE's "Highlights of 2017" !READ MORE
Check out the recording and slides of our webinar on simulating interfaces in electronics at the atomic scale. Learn from the Global Foundries and IBM Research study of the TiGe/Ge interface and the Imec study of the TiSi|Si interface.
You can download them here.READ MORE
Learn about atomic-scale modeling with QuantumATK at Hannover Messe, Germany, on 23-27 April.
Hannover Messe is the world's leading trade show for industrial technology.
Join us for a free webinar on the 23rd of May featuring a demonstration of simulating the phonon-limited electron mobility of materials at the atomic scale using the first-principle method (in QuantumATK).
You can register here.READ MORE
Synopsys QuantumWise will be at the MRS Spring Meeting 2018 in Phoenix, Arizona on 2 - 6 April.
Meet Anders Blom at the Synopsys QuantumWise booth #805 and learn about using QuantumATK (VNL-ATK) to model materials, nanostructures, and nanoelectronic devices at the atomic scale!READ MORE
Synopsys QuantumWise will be at the DPG Spring Meeting 2018 in Berlin, Germany on 11 March - 16 March.
Meet Julian Schneider and Fabiano Corsetti at the Synopsys QuantumWise booth and learn about using QuantumATK (former VNL-ATK) to model materials, nanostructures and nanoelectronic devices at the atomic scale!READ MORE
Join us for a free webinar featuring a demonstration of simulating interfaces at the atomic scale using QuantumATK (former VNL-ATK).
You can register here.READ MORE
Meet our two interns, PhD students Anthony Nicholson and Aanand Thiyagarajan, from Colorado State University, who are working on the next generation CdTe based solar cell devices for sustainable energy generation which is economically competitive with fossil fuel. CdTe based solar cell device technology is used by First Solar, Inc. and other manufacturers of solar cells. Their internships are funded by National Science Foundation in the USA.READ MORE
Meet Maeng-Eun Lee and Marcus Yee at the Synopsys Booth and learn about using QuantumATK (former VNL-ATK) to model semiconductor materials and device characteristics at the atomic scale!READ MORE
Have a look at the special IEDM 2017 edition of the Synopsys TCAD news (Technology Computer Aided Design), highlighting atomistic materials modeling with QuantumATK (former VNL-ATK), and why it is important for today's and future semiconductor technology development!READ MORE
Meet Julian Schneider from Synopsys QuantumWise at the International Conference Argent - Advanced Radiotherapy, Generated by Exploiting Nanoprocesses and Technologies. The registration deadline is January 7th! The conference will take place at CNRS, Univ. Paris-Saclay, Gif-sur-Yvette (Paris region), France, 22-24 Jan, 2018. You can find the topmost invited speakers here.READ MORE
Dear friends of ATK, VNL, and Synopsys QuantumWise,
It is that time of year again, and 2017 in particular has been a very eventful year for us.READ MORE
Join us for a free webinar on how to include electron-phonon scattering effects in large scale atomistic device simulations using the Special Thermal Displacement (STD)-Landauer method in VNL-ATK 2017. These effects play a central role in the performance of nano-scale electronic devices, such as rectifiers and transistors.READ MORE
A bugfix update to VNL-ATK 2017 has been released (version 2017.2).READ MORE
Meet Julian Schneider from Synopsys QuantumWise at the International Conference Argent - Advanced Radiotherapy, Generated by Exploiting Nanoprocesses and Technologies.
The conference will take place at CNRS, Univ. Paris-Saclay, Gif-sur-Yvette (Paris region), France, 22-24 Jan, 2018.
Synopsys QuantumWise is part of the intersectorial and multidisciplinary ITN (Initial Training Network) Argent. The aim of Argent is "to create a new generation of researchers and experts able to develop and propose to the society new tools and concepts for the improvement of cancer therapy treatments’’.READ MORE
Synopsys QuantumWise and a group of researchers at the Technical University of Denmark present a new large scale at low cost “Special Thermal Displacement (STD)-Landauer” method  for treating electron-phonon coupling (EPC) effects. EPC, such as Phonon-assisted tunneling, plays a central role in the performance of ultra-scaled electronic devices and is one of the major challenges from the viewpoint of both experiments and simulations. The method is conceptually simple (see the concept below) and much more efficient than any existing first-principles transport methods including EPC for enabling first-principles modeling of realistic rectifiers and transistors.READ MORE
GlobalFoundries and IBM Research at Albany NanoTech have recently published their work with ATK providing atomistic-level insight into the interface between semiconducting Ge and metallic TiGe used in contacts for sub-10nm nodes. The study gives directions on how to minimize the contact resistance at the interface.READ MORE
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.
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.