Unified approach for molecular dynamics and density-functional theory.

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Structural models of bioactive glasses from molecular dynamics simulations (2009, methodology): “…Sarnthein et al.’s (1995) pioneering study on amorphous silica, in the last two decades, efficient AIMD methods such as the Car–Parrinello approach (Car & Parrinello 1985) have enabled researchers to look at the properties of silicate glasses with very high accuracy (Ispas et al. 2001;…”
The Geometry of Algorithms with Orthogonality Constraints (1998, unknown): “Less than ten years ago, Car and Parrinello [13] in a watershed paper proposed minimization through simulated annealing.”
Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects (2005, methodology): “Density-functional calculations can be inserted in a molecular dynamics (MD) procedure to give the ab initio MD, whose best known example is the Car-Parrinello method (Car and Parrinello, 1985), which is well suited to investigate thermodynamic and kinetic properties at T > 0 K.”
Density functional theory: Its origins, rise to prominence, and future (2015, methodology): “One development that had a large impact on my own work was the combination of DF calculations with molecular dynamics introduced by Car and Parrinello (1985).”