Beyond Ideal Crystals: The Case For Scale In Atomistic Modeling


Almost all computer simulations face the same trade-off: larger models can be more realistic and therefore more useful, but they also take longer to run. Engineers and scientists are therefore faced with an almost daily challenge of choosing a model that is detailed enough to capture the important details without making the calculation impractically expensive. "All models are wrong, but some... » read more

Force Fields Will Accelerate Atomistic Simulations By 10,000× In 2026, Unlocking New Era Of Discovery


By Anders Blom and Igor Markov “Force fields” have long captured our imagination — the invisible shields of science-fiction lore that protect starships and superheroes from harm. But in the world of scientific discovery, force fields play a much different role: They are mathematical models that let us peer into the atomic heart of matter itself. Now, thanks to breakthroughs in artif... » read more

Materials Modeling Of Superconducting Qubits In Quantum Computers


While the concept of quantum computing has been discussed for more than 40 years, only recently have experiments indicated that a practical quantum computer may be possible. Recent developments in this area have captured headlines with dramatic claims—and equally dramatic rebuttals. Google’s Willow chip demonstrated error-corrected operations in late 2024, while D-Wave’s assertion of quan... » read more

Revolutionizing Semiconductor Development With GPU-Enhanced Atomistic Modeling


There are many challenges in the development of a modern semiconductor chip, from front-end architecture simulation to final signoff. Volume manufacturing has its own set of challenges, while silicon lifecycle management (SLM) extends into field deployment and aging concerns. Underlying this entire development flow, however, lie the materials used to build the actual chips. Guiding the explorat... » read more

Advanced Atomistic Simulation Techniques For Atomic Layer Etching


Continuous downscaling of the critical dimensions in semiconductor devices is the cornerstone of technological revolution. As the technology nodes keep shrinking, innovations in fabrication technologies are needed to continue the trend. We have arrived at the age where atomic level precision in the fabrication of semiconductor devices is needed to keep improving PPA. Thus, advanced film fabrica... » read more

Comprehensive Model of Electron Conduction in Oxide-Based Memristive Devices


Abstract "Memristive devices are two-terminal devices that can change their resistance state upon application of appropriate voltage stimuli. The resistance can be tuned over a wide resistance range enabling applications such as multibit data storage or analog computing-in-memory concepts. One of the most promising classes of memristive devices is based on the valence change mechanism in oxide... » read more