Theory and experiment battling through three decades: That is the epic tale of quantum chemistry of molecule-surface adsorption.

Much like the humans that created them, computers find physics hard, but quantum mechanics even harder. But a new technique created by three University of Chicago scientists allows computers to simulate ...

A career in quantum computing can offer engaging work with a high annual salary. Here are some tips to help you land your first job in the field.

A team of researchers around Berlin mathematics professor Michael Joswig is presenting a novel concept for the mathematical modeling of genetic interactions in biological systems. Collaborating with biologists ...

"Coscientist" AI checks references, reads hardware manuals, and sets up reactions.

Acid–base properties of molecules in nonaqueous solvents are of critical importance for almost all areas of chemistry. Despite this very high relevance, our knowledge is still mostly limited to the pKa of rather few compounds in the most common solvents,…

The findings can be used to design molecules with custom quantum coherence properties, laying the chemical foundation for emerging quantum technologies.

Kaiserslautern physicists in the team of Professor Dr. Herwig Ott have succeeded for the first time in directly observing pure trilobite Rydberg molecules. Particularly interesting is that these molecules ...

"A different way to treat cancer."

Tutorial to make molecular graphs and develop a simple PyTorch-based GCN

Researchers at the University of Chicago's Pritzker School of Molecular Engineering (PME), Argonne National Laboratory, and the University of Modena and Reggio Emilia have developed a new computational ...

Researchers from the University of Maine and Penn State discovered that molecules experience non-reciprocal interactions without external forces.

A summary of recent developments in low-cost quantum chemistry.

Scientific Data - A Quantum-Chemical Bonding Database for Solid-State Materials

Yao Zhao examines the role of quantum computing in quantum chemistry highlighting the challenges posed by hardware limitations.

It will only catch the most blatant problems, but it's definitely overdue.

A new material that doesn't just rival the strength of diamonds and graphene, but boasts a yield strength 10 times greater than Kevlar, renowned for its use in bulletproof vests. Researchers at Delft University of Technology, led by assistant professor Richard…