A substance that has, for decades, been considered an essential component of accepted chemistry calculations does not actually exist, according to new research conducted by scientists from the ...

This assignment engages students in applying solubility rules and stoichiometric calculations to design a method for separating metal ions in solution. Students must justify their choice of ...

Inside what looks like a simple block of frozen water, quantum mechanics is quietly rewriting the rules of chemistry. New calculations are revealing how protons tunnel, bonds flicker and molecules ...

Many of us learned in high school chemistry that the electrons around an atomic nucleus occupy different energy levels. The low-energy levels are known as the inner electron shells, and the ...

The world's most powerful supercomputer has raised the bar for calculating the number of atoms in a molecular dynamics simulation 1,000 times greater in size and speed than any previous simulation of ...

Quantum chemistry calculations offer the best combination of efficiency and accuracy for predicting molecular properties. But the complexity of density functional theory and other methods makes them ...

For the first time, a quantum computer has improved its results by repeatedly fixing its own mistakes midcalculation with a technique called quantum error correction ...

Kyulux Inc. used materials informatics (1) that combines quantum chemistry calculations and machine learning and succeeded in achieving higher efficiency and longer lifetime for unique OLED technology ...

When Alán Aspuru-Guzik was in college, he really got into SETI@home, the project that uses home computers to speed the search for extraterrestrial intelligence. He was less interested in finding ...