List of Webinars:
- Solar-Cell Devices Including Temperature Effects
- New Framework for IV Curve Simulations
- New QuantumATK Release O-2018.06
- Simulating the Phonon-Limited Electron Mobility of Materials
- Simulating Interfaces with QuantumATK
- New QuantumATK Release 2017
- Introduction to Molecular Dynamics Simulations with QuantumATK-ForceField
- Atomistic Simulation of Thermal Transport Across Interfaces
- How to include electron-phonon scattering effects in large scale atomistic device simulations
The webinars may still mention the name ATK-Classical, which is the outdated name for ATK-ForceField (in QuantumATK-versions 2016 and older).
Solar-Cell Devices Including Temperature Effects¶
Description: Demonstration of the new framework in QuantumATK, Photocurrent Module, for accurate and efficient atomistic simulations of photocurrent and OCV (Open Circuit Voltage) in solar cell devices. Temperature effects have a significant impact on OCV and photocurrent, and electron-phonon scattering can be combined with the Photocurrent Module to take these effects into account. During the webinar discover accurate simulations of solar-cell devices with QuantumATK:
- Learn how to set up photocurrent simulations and visualize results using the NanoLab GUI.
- Discover how the new framework can be used together with other tools in the QuantumATK package to further understand the behavior of devices with different properties under illumination.
- Find out how the new framework can be useful in the search for new materials for solar cells and light emitting diodes (LEDs).
New Framework for IV Curve Simulations¶
Description: During the webinar we introduce the new study object framework for handling complex computational workflows. Then we will show how the IV Characteristics Study Object works as a combined framework for running multiple source-drain/gate voltage calculations, collecting, and analyzing the results. The IV Characteristics Study Object enables the calculation and analysis of the most relevant electrical characteristics of field-effect-transistor (FET) device models, including the on/off ratio, the subthreshold slope, the drain-induced barrier lowering and source-drain saturation voltage.
New QuantumATK Release O-2018.06¶
Description: The webinar is targeted to every QuantumATK user who wants to learn more about the new features implemented in version 2018.06 of our atomic-scale modeling platform. In particular, we will cover:
Plane-Wave simulation engine including hybrid functional HSE06
Performance improvements for periodic and device (with Non-Equilibrium Green’s Function method) density functional theory (DFT) simulations
Introduction to the advanced StudyObject framework to perform complex tasks such as:
- Device geometry optimizations
- IV characteristics enabling systematic variation of both, the gate-source and the drain-source voltages of a device
- Simulating neutral and charged point defects in bulk materials and interfaces: defect formation energies and transition levels
Special Quasi-random Structure (SQS) generator for simulating alloys
New Builder features for building and handling your structures
And more new exciting features!
Simulating the Phonon-Limited Electron Mobility of Materials¶
Description: Discover fast and accurate simulations of the phonon-limited electron mobility with the atomistic parameter-free method using QuantumATK (VNL-ATK) software:
- Learn the concepts behind the Boltzmann Transport Equation (BTE) solver for including electron-phonon scattering effects and thus simulating the phonon-limited electron mobility.
- Find out how to perform BTE simulations of the phonon-limited electron mobility, obtain its dependence on carrier density and temperature using our advanced Graphical User Interface, NanoLab, coupled with Python scripting.
- Discover how to obtain good understanding of electron transport in materials.
- Learn from the example calculations of phonon-limited electron mobility for graphene, other 2D materials and metals.
Simulating Interfaces with QuantumATK¶
Description: In this webinar we describe how to effectively perform simulations of interfaces at the atomic scale using QuantumATK (former VNL-ATK).
- Learn about our state-of-the-art method for simulating interfaces (DFT + NEGF).
- Create and relax the structure of the interface, dope the semiconductor.
- Calculate electronic structure and parameters of the interface: Schottky barrier and contact resistance.
- Perform a physically sound analysis, compare with experimental results.
- Learn from the Global Foundries and IBM Research study of the TiGe/Ge interface and the Imec study of the TiSi|Si interface.
How to include electron-phonon scattering effects in large scale atomistic device simulations¶
Description: In this webinar we describe how to include the electron-phonon scattering effects in large scale atomistic device simulations using the Special Thermal Displacement (STD)-Landauer method. These effects play a central role in the performance of ultra-scaled electronic devices, such as rectifiers and transistors.
New QuantumATK Release 2017¶
Highlights of New Features and Functionalities
Description: The webinar is targeted to every QuantumATK user who wants to learn more about the new features implemented in version 2017 of our atomic-scale modeling platform. In particular, we will cover:
- Important changes and highlights in QuantumATK 2017
- Performance improvements
- New methods for band gaps
- Wigner-Seitz approximation for large supercells
- Demo: Fat band structures and projected density of states (Local job manager)
- Demo: Fermi surface analysis (Remote job manager / QuantumATK on-demand)
- Demo: New functionality in the Builder
- Demo: Connection to external databases
- New features related to electron-phonon coupling calculations
- Questions and answers
Introduction to Molecular Dynamics Simulations with QuantumATK-ForceField¶
Description: An introduction to Molecular Dynamics (MD) simulations using QuantumATK and ATK-ForceField. In a short introductory lecture (30 minutes) you will learn about the basic underlying physics, different simulation techniques, and what you can do with MD simulations. In the following hands-on-session (one hour), you will be guided to set up and run your own MD simulations.
Atomistic Simulation of Thermal Transport Across Interfaces¶
Description: In a short lecture (30 minutes), you will learn the basic concepts of thermal transport. We will particularly focus on Non-Equilibrium Molecular Dynamics (NEMD) and phonon transmission based on Non-Equilibrium Green’s Functions (NEGF), which will be used in the following hands-on session (1 hour). Here, you will be guided through practical examples on how to simulate the thermal conductance across a grain boundary in silicon.