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QuantumATK - Atomistic Simulation Videos
草榴社区 Video Series on Sensor Design
Discover and learn how modeling with 草榴社区 atomistic QuantumATK and TCAD Sentaurus Device tools is pivotal to designing novel sensor devices.
Dr. Sayan Kanungo from Birla Institute of Technology and Science presents an investigation of a multifunctional breath and pressure sensor using combined atomistic modeling with 草榴社区 QuantumATK, sensor device fabrication and ex-vivo testing.
Atomistic calculations with DFT-D3 in QuantumATK are used to identify the transduction mechanism for pressure and breath sensing in Perylene Diimide (PDI): study the influence of reduced PDI-PDI inter-molecule distance (i.e., pressure effect) on DOS and investigate the favorable H2O adsorption sites on PDI, adsorption energies and charge transfer.
Dr. Gabriele Boschetto and Prof. Aida Todri-Sanial from CNRS and Eindhoven University of Technology showcase the design of a strain sensor based on CNTs and MoS2 using a multi-disciplinary approach: atomistic modeling with 草榴社区 QuantumATK, sensor fabrication and ex-vivo testing for monitoring respiratory rate.
In this study, CNT percolating network and single-layer MoS2 are modeled using DFT-D2 method in QuantumATK to compute bandgaps and electron effective masses (to estimate electron mobility and conductivity) as a function of strain and thus structural deformations along chosen directions.
Dr. Gabriele Boschetto, Dr. Stefania Carapezzi and Prof. Aida Todri-Sanial from CNRS and Eindhoven University of Technology share how multiscale 草榴社区 atomistic (QuantumATK) to TCAD (Sentaurus Device) modeling workflow is used to predict the chemresistive response of the designed MoS2 FET-based sensor for the detection of cortisol.
DFT-D2 method in QuantumATK is used to calculate band gaps, effective masses, relative permittivities, adsorption energies and charge transfer for different Pt cluster sizes on MoS2 surface with and without adsorbed cortisol. Then DFT calculated parameters are used as an input to Sentaurus Device simulations of MoS2-FET to predict device response, i.e., IDS-VGS, with respect to the Pt cluster size, cluster density and cluster occupancy with cortisol.
Other Videos
Watch product demonstrations and workflows led by our product experts.
Atomistic STT-MRAM Modeling Framework
Atomistic STT-MRAM Modeling Framework in QuantumATK
Iterative Atomistic Simulation Workflows
Iterative Atomistic Simulation Workflows in QuantumATK
Jobs Tool
Use Jobs Tool in NanoLab GUI to customize and organize tasks.
Basic Atomistic Simulation Workflow
Atomistic simulation workflow and quick-and-easy access to all tools and features in QuantumATK.
Fast & Easy Modeling
Fast and easy atomic-scale modeling with QuantumATK NanoLab GUI.
Workflows Tool
New Workflow Builder for setting up simple and complex calculation workflows.
Building Realistic Multilayer Structures
Use Multilayer Builder GUI to automatically build multi-layer stacks of amorphous and crystalline layers.
Data-Intensive Atomic-Scale Modeling with QuantumATK
Work efficiently with data intensive atomic-scale modeling projects based on multiple simulations.
Thermochemistry Analysis
Easy-to-use atomistic thermochemistry selectivity analysis tools for studying advanced surface processes.
Machine-Learned Force Fields Auto Generation
Develop accurate Machine Learning (ML) interatomic potentials for realistic complex system.
Building Thermoplastic Polymers
Build thermoplastic polymers with an easy-to-use GUI with QuantumATK.
QuantumATK Platform for Atomic-Scale Modeling
Effective tools for all levels, synergistic solutions, and realistic physics outcomes in complex materials.
Adsorption Tool
How to conveniently adsorb molecules on a surface for battery and catalyst simulations with an easy-to-use GUI.
Dynamics of Etching and Deposition Processes
Easy-to-use atomistic surface process dynamics tools in QuantumATK.
Advanced 2D Plotting
Use QuantumATK for 2D plots, perform advanced editing of plots, link and combine them, and fit data to linear and other models.
Advanced Analysis for Fat Bands & Projected DOS
A fast-track presentation of QuantumATK analysis tools for calculating the projected band structure and projected density of states.
Molecular Builder
Demo of how to conveniently build molecules with an easy-to-use GUI.
Silicon Nanowire Field-Effect Transistor
Presentation of how to set up a silicon nanowire field-effect transistor structure, perform calculations and analyze results in QuantumATK.
Calculate & Visualize Fermi Surfaces
A fast-track presentation of how to use QuantumATK to calculate and visualize the Fermi energy surface of any bulk material.
Using NanoLab with Python Console & Snippet
Introduction in how to use python console and snippet in QuantumATK NanoLab Builder.
Learn more about QuantumATK products
Interested in applying QuantumATK software to your research? Test our software or contact us at quantumatk@synopsys.com to get more information on QuantumATK platform for atomic-scale modeling.