27 verified PDFs
by H Hettema · Cited by 2 — I will briefly argue that quantum chemistry is a progressive research programme and outline some of the issues that have to be resolved for full Lakatosian ...
Quantum Phase Estimation (QPE) is a flagship algorithm for fault-tolerant quantum computers and offers a path to highly accurate molecular energies.
Abstract. Computational chemistry is a scientific field within which the computer is a pivotal element. This scientific community emerged in the eighties ...
by H Hettema · 2007 · Cited by 2 — This note is intended to address one particular issue in the relative sta- tus of Quantum Chemistry in comparison to both Chemistry and Physics.
Abstract. The Merrimac supercomputer uses stream processors and a radix network to achieve high performance at low cost and low.
Abstract. Computational chemistry grew in a new era of "desktop modeling", which coincided with a growing demand for modeling software, ...
Another important aspect discussed in this report is multiscale coupling of quan- tum mechanics to molecular mechanics or molecular dynamics. Christoph Ortner.
