Why QuantumATK?

Our industry-leading atomistic simulation platform empowers the design of novel materials with best properties for new or current products and systems. 

  • Reduce R&D time and cost by replacing or guiding experiments and facilitating path finding for solving current industrial problems and developing next-generation products.
  • Accelerate development of new materials and obtain deep understanding of mechanisms and structure-property relationships using QuantumATK materials modeling software.
  • Compute both basic and more advanced material properties, including electronic, structural, optical, thermal, magnetic and mechanical properties, as well as electronic and thermal transport, electron-phonon coupling, piezoelectricity and more characteristics.
  • Integrate seamlessly with the Synopsys Design-Technology Co-Optimization (DTCO) solution

QuantumATK Products and Calculators

Key Benefits

Semiconductor Modeling

Logic & Memory Interconnects

Explore alternative interconnect metals and barrier materials to reduce line and via resistance in interconnect stacks. Evaluate interconnect resistance and capacitance in complex process structures through a link to TCAD Raphael FX.

Stack Engineering

Metal-Semiconductor Contacts

Guide transistor optimization by providing key insights into how to optimize metal-semiconductor contact resistance and Schottky barriers by tuning atomic structure of an interface and doping. 

Metal-Semiconductor Contact

High-K Metal Gates (HKMG) Stacks

Achieve target performance of HKMG stacks by varying material composition, thicknesses and dopants. Obtain optimal work function, minimal leakage current and maximum capacitance through a link to TCAD S-Device. 

HKMG Stacks

Transistor Channel Engineering

Achieve target transistor performance by investigating new channel structures and materials with improved carrier mobility and currents. Equip TCAD advanced transport models with new relevant parameters. 

Transistor

2D-Material FET Performance

Down-select among many candidate 2D materials and their heterostructures by simulating the electrical characteristics of 2D-material based model field effect transistors (FETs).

Heterostructures for FET

Novel Memory Design

Guide R&D of novel memories, such as STT-MRAM, ReRAM, PCRAM, and FeFET by investigating and optimizing properties of material stacks comprising these memory devices, impact of electric field, strain, dopants and defects

memory-design

Surface Process Modeling

Optimize etching and sputtering processes by varying chemical composition of a surface and energy and type of incoming particles. Describe thermally-assisted or plasma-based processes through a link to TCAD S-Process.

Crystal Structure On Top of A Surface

Materials Modeling

Battery Material Simulations

Design novel battery materials for cathodes and anodes, liquid and solid electrolytes, additives, solid electrolyte interphases (SEI) for denser and safer batteries for automotive and other industrial applications.

Battery and Crytal Structures

Polymer Research & Design

Design polymers with improved thermo-mechanical, thermal conductivity and optical properties within R&D of areas such as photoresist, transparent polymers, rubber-like polymers for tire industry and thermoset polymers for insulation industry.

Polymer Simulation

Solar Cell Materials

Model noval photovoltaic materials and devices with improved photocurrent and open circuit voltage (OCV).

Solar Cells

Catalyst Simulations

Predict and screen new materials for improved catalytic activity of transitional metal and transition metal oxide surfaces

Molecules

Metals, Ceramics, & Glasses

Design glasses with optimized optical and mechanical properties, thermal transport at crystal/glass interfaces, simulate crystallization and nucleation.

Metal Rod

Resources