P. Klein

Pressure and temperature control in molecular dynamics simulation: a unitary approach in discrete time

P. Klein, Peter Klein, 1998 .

A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition

E. Westkämper, S. Sommadossi, P. Klein, 2005 .

Residual stresses modelled by MD simulation applied to PVD DC sputter deposition

T. Frauenheim, C. Köhler, P. Klein, 2005 .

Molecular simulation of the hydrodynamics of water in contact with hydrophilized poly(vinylidene fluoride) surfaces.

P. Klein, Veronika V. Dick, 2014, Journal of colloid and interface science.

Tight-binding simulation of liquid and amorphous Si at zero pressure

H. Urbassek, T. Frauenheim, P. Klein, 1999 .

Sampling the Bulk Viscosity of Water with Molecular Dynamics Simulation in the Canonical Ensemble

P. Klein, J. Vrabec, G. Guevara-Carrion, 2022, The journal of physical chemistry. B.

Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom.

Hans Hasse, Kai Leonhard, Johannes Lenhard, 2017, Journal of chemical theory and computation.