Convex splitting method for the calculation of transition states of energy functional

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

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 20.4K citations

Engineering, Mechanical Engineering, Computational Chemistry +22

Free Energy of a Nonuniform System. I. Interfacial Free Energy

John W. Cahn, J. E. Hilliard · The Journal of Chemical Physics · 1958 · 10K citations

Free Energy, Engineering, Energy Efficiency +16

A microscopic theory for antiphase boundary motion and its application to antiphase domain coarsening

Samuel M. Allen, John W. Cahn · Acta Metallurgica · 1979 · 3.6K citations

Antiphase Boundary Motion, Engineering, Physics +8

A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

Graeme Henkelman, Hannes Jónsson · The Journal of Chemical Physics · 1999 · 3.3K citations

Numerical Analysis, Engineering, Potential Energy Surface +23

Nudged elastic band method for finding minimum energy paths of transitions

Hannes Jónsson, G.A. Mills, Karsten W. Jacobsen · 1998 · 2.1K citations

Numerical Analysis, Nonlinear Elasticity, Engineering +13