AI accelerators deliver accurate models for challenging quantum chemistry calculations

The most demanding calculations in quantum chemistry can now be solved with graphics processing unit (GPU) supercomputers. A ...
C&EN

Will quantum computing be chemistry’s next AI?

A gold superconducting quantum computer hangs against a black background. Quantum computers, like the one shown here, could someday allow chemists to solve problems that classical computers can’t.
C&EN

Editorial: What will it take to realize the potential of quantum computing in chemistry?

Computing hasn’t changed fundamentally since the advent of the abacus 4,500 years ago. But that could change imminently as the world ushers in the quantum computer, a radically new type of computing ...
Phys.org

New quantum algorithm solves critical quantum chemistry problem through adaptation along a geometric path

A team of researchers from the U.S. Department of Energy's (DOE) Brookhaven National Laboratory and Stony Brook University have devised a new quantum algorithm to compute the lowest energies of ...
Science Daily

Virtual lab finds the right AI tool for each chemistry problem

Having the right tool for the job makes the job a lot easier, less expensive and faster. Chemical engineering researchers have now developed a virtual laboratory that can be used to determine the ...