Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances

Efficient stochastic thermostatting of path integral molecular dynamics

(2010) Michele Ceriotti et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics with Multiple Time Scales: How to Avoid Pitfalls

(2010) Joseph A. Morrone et al.   Journal of Chemical Theory and Computation

Colored-Noise Thermostats à la Carte

(2010) Michele Ceriotti et al.   Journal of Chemical Theory and Computation

Nuclear Quantum Effects in Solids Using a Colored-Noise Thermostat

(2009) Michele Ceriotti et al.   PHYSICAL REVIEW LETTERS

Langevin Equation with Colored Noise for Constant-Temperature Molecular Dynamics Simulations

(2009) Michele Ceriotti et al.   PHYSICAL REVIEW LETTERS

Classical and quantum mechanical/molecular mechanical molecular dynamics simulations of alanine dipeptide in water: Comparisons with IR and vibrational circular dichroism spectra

(2008) Kijeong Kwac et al.   JOURNAL OF CHEMICAL PHYSICS

Normal mode partitioning of Langevin dynamics for biomolecules

(2008) Christopher R. Sweet et al.   JOURNAL OF CHEMICAL PHYSICS