Graeme Henkelman

7 ta ish

The University of Texas at Austin

1. A climbing image nudged elastic band method for finding saddle points and minimum energy paths

   Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson

   Maqola200023 iqtibos

   ABIABI:AkademIndex/2026.other.188837

2. A fast and robust algorithm for Bader decomposition of charge density

   Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson

   Maqola200514 iqtibos

   ABIABI:AkademIndex/2026.other.137521

3. A grid-based Bader analysis algorithm without lattice bias

   Wenjie Tang, Edward Sanville, Graeme Henkelman

   Maqola200910 iqtibos

   ABIABI:AkademIndex/2026.other.054443

4. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

   Graeme Henkelman, Hannes Jónsson

   Maqola20005 iqtibos

   ABIABI:AkademIndex/2026.other.193066

5. Optimization methods for finding minimum energy paths

   Daniel Sheppard, Rye Terrell, Graeme Henkelman

   Maqola20084 iqtibos

   ABIABI:AkademIndex/2026.other.272470

6. Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors

   Zhi‐Jian Zhao, Sihang Liu, Shenjun Zha +4

   Sharh maqola20193 iqtibos

   ABIABI:AkademIndex/2026.other.518759

7. Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces

   Hao Li, Kihyun Shin, Graeme Henkelman

   MaqolaOAOchiq kirish20182 iqtibos

   ABIABI:AkademIndex/2026.other.195658