Chapter 41 – Advances in electronic structure theory: GAMESS a decade later

By M. Gordon, Michael W. Schmidt. 2005

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The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

GAMESS as a free quantum-mechanical platform for drug research. (2012, methodology): “There are several excellent general reviews of GAMESS by its principal developers, Gordon and Schmidt [32, 33], whereas we only describe applications of GAMESS relevant to drug research.”
Newton‐X: a surface‐hopping program for nonadiabatic molecular dynamics (2014, methodology): “…conﬁguration interaction (MRCI) and MCSCF], Turbomole 33 [TDDFT, coupled cluster to the approximated second order (CC2), and second-order algebraic-diagrammatic construction (ADC(2))], Gamess 34 (MCSCF), and Gaussian 35 (complete active space self-consistent ﬁeld and TDDFT) programs.”
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials (2009, background): “lso used by some of the leading development groups in the condensed-matter electronicstructure community [13, 14], while some proprietary projects allow for some free academic usage of their products [15, 16, 17, 18, 19, 14]. A commercial endeavor also brings the distinctive advantage of a professio”