AD Scientific Index
 Open Nav
Login Login Pricing & Plans Pricing & Plans
Graeme Henkelman

Graeme Henkelman

University of Texas Austin - Austin / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1640695
University of Texas at Austin
person_outline Graeme Henkelman's MOST POPULAR ARTICLES
1-) A climbing image nudged elastic band method for finding saddle points and minimum energy paths The Journal of chemical physics 113 (22), 9901-9904, 2000
2-) A fast and robust algorithm for Bader decomposition of charge density Computational Materials Science 36 (3), 354-360, 2006
3-) Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points The Journal of chemical physics 113 (22), 9978-9985, 2000
4-) A grid-based Bader analysis algorithm without lattice bias Journal of Physics: Condensed Matter 21 (8), 084204, 2009
5-) Improved grid‐based algorithm for Bader charge allocation Journal of computational chemistry 28 (5), 899-908, 2007