quantum-chemistry

Insider Brief PRESS RELEASE — Quantum chemistry has long been recognised as one of the most compelling early applications for quantum computing. The ability to accurately predict the chemical properties of complex molecules could transform industries ranging from pharmaceuticals to clean energy, yet existing classical methods need supercomputing-level resources to tackle large chemical systems of…

A new technical paper titled “From Promise to Practice: Benchmarking Quantum Chemistry on Quantum Hardware” was published by researchers at Rensselaer Polytechnic Institute and IBM T.J. Watson Research Center. Abstract  “We provide a systematic evaluation of the sample-based quantum diagonalization (SQD) method for electronic structure based on the W4-11 thermochemistry dataset, comprising 124 to…

The Department of Chemistry hosted a series of quantum-themed outreach events this fall, sharing the excitement of quantum science with both high school teachers and students across Connecticut. On October 9, 2025, we hosted an ECE Chemistry Teacher Workshop focused on quantum materials. 25 Early College Experience (ECE) high school teachers spent the day on […]

2025 was declared by UNESCO as the International Year of Quantum Sciences, bringing a lot of celebrations, however much of the discourse is dominated by physicists and quantum technologists, some of which proclaim the dawn of the new “quantum revolution”. Yet, amid the excitement, I can’t help but notice that quantum chemistry remains underrepresented, despite being the discipline that has arguab…

Bribie Island, just north of Brisbane. The University of Queensland has just advertised several jobs that may be of interest to readers of this blog, particularly those seeking to flee the USA. There is a junior faculty position for a theorist working at the interface of condensed matter, quantum chemistry, and quantum computing. There is also a postdoc to work on the theory of strongly correlate…

USC Dornsife scholar honored for intellectual excellence and courage by the newly launched American Academy of Sciences and Letters. The post Quantum chemistry pioneer Anna Krylov wins prestigious Barry Prize appeared first on USC Dornsife .

Quantum chemistry has been an important benchmark application for emerging quantum computers.  In this article, we will revisit the big-picture motivation for this application and how the iterative nature of the algorithm presents unique challenges and opportunities to improve quality of results on noisy quantum machines. Drug discovery: importance and challenges The COVID19 pandemic has […]

Dr. Heather A. Rypkema Department of Atmospheric, Oceanic, and Space Sciences University of Michigan   November 14, 2014   3:00 pm Chemical Sciences Building~ Room 101 Abstract: Quantum chemical methods have a broad-ranging capacity toward informing our understanding of molecular transformations in a variety of environments, including the chemistry of the atmosphere. Specifically, these appl…

I often discuss these two topics, but in separate posts. But, both are concerned with strong electronic correlations; one in molecules and the other in solids. Is it possible to bring them together in a mutually beneficial manner? 1. How could quantum chemistry of finite molecules benefit from DMFT? This is considered in a PRL from Columbia. An earlier post reviewed nice work that used LDA+DMFT t…