Comparison of mechanical properties of C-S-H and portlandite between nano-indentation experiments and a modeling approach using various simulation techniques

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

An improved technique for determining hardness and elastic modulus using load and displacement sensing indentation experiments

W. C. Oliver, George M. Pharr · Journal of materials research/Pratt's guide to venture capital sources · 1992 · 26.1K citations

Elastic Modulus, Improved Technique, Engineering +11

Self-interaction correction to density-functional approximations for many-electron systems

John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.5K citations · Full text

Total Energy, Quantum Science, Self-interaction Correction +15

Ground State of the Electron Gas by a Stochastic Method

David M. Ceperley, B. J. Alder · Physical Review Letters · 1980 · 14.1K citations

Quantum Dynamic, Quantum Liquid, Quantum Lattice System +19

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.6K citations · Full text

Engineering, Material Simulation, Simulation +22