Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a comprehensive review of ...

The Kennedy College of Science, Department of Chemistry, invites you to attend a Ph.D. Research Proposal defense by Kithma Sajini entitled “Computational Investigation of Ligand-Protected Gold ...

Figure 1. Various methodologies are utilized in the simulation of materials and materials, such as quantum mechanical calculations at the nanometer (nm) level, classical mechanical force fields at the ...

Modern SoCs are experiencing continued growth in capabilities and design sizes with more and more subsystem IPs being implemented. These large, complex, multi-core SoCs need strategies for DFT and ...

In this paper we describe a method for computing the Discrete Fourier Transform (DFT) of a sequence of $n$ elements over a finite field $\mathrm{GF}(p^m)$ with a ...

What if all the DFT verification on your next big chip could be completed before tape-out? This “shift-left” of DFT verification would eliminate the need for shortcuts in verification and allow for ...

Computational analysis has helped chemists achieve concise total syntheses of two terpene natural products, according to a new study. Led by Yale University’s Timothy Newhouse, the team reports a nine ...