Ödön Farkas

Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints

Thom Vreven, Keiji Morokuma, Ödön Farkas et al. · Journal of Computational Chemistry · 2003 · 615 citations

Natural Sciences, Chemistry, Physics +12

Methods for optimizing large molecules. II. Quadratic search

Ödön Farkas, H. Bernhard Schlegel · The Journal of Chemical Physics · 1999 · 170 citations

Natural Sciences, Chemistry, Physics +17

Methods for optimizing large molecules. Part III. An improved algorithm for geometry optimization using direct inversion in the iterative subspace (GDIIS)

Ödön Farkas, H. Bernhard Schlegel · Physical Chemistry Chemical Physics · 2002 · 126 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Effects of the Protein Environment on the Structure and Energetics of Active Sites of Metalloenzymes. ONIOM Study of Methane Monooxygenase and Ribonucleotide Reductase

Maricel Torrent, Thom Vreven, Djamaladdin G. Musaev et al. · Journal of the American Chemical Society · 2001 · 121 citations

Life Sciences, Biochemistry, Chemistry +17

Methods for geometry optimization of large molecules. I. An O(N2) algorithm for solving systems of linear equations for the transformation of coordinates and forces

Ödön Farkas, H. Bernhard Schlegel · The Journal of Chemical Physics · 1998 · 71 citations

Computing, Chemistry, Computer Science +17