Christopher J. Mundy

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

Thomas D. Kühne, Marcella Iannuzzi, Mauro Del Ben et al. · The Journal of Chemical Physics · 2020 · 3.7K citations · Full text

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

Jochen Schmidt, Joost VandeVondele, I‐Feng W. Kuo et al. · The Journal of Physical Chemistry B · 2009 · 352 citations · Full text

An ab Initio Molecular Dynamics Study of the Aqueous Liquid-Vapor Interface

I‐Feng W. Kuo, Christopher J. Mundy · Science · 2004 · 352 citations

Interface Chemistry, Engineering, Interfacial Phenomenon +15

Liquid Water from First Principles:  Investigation of Different Sampling Approaches

I‐Feng W. Kuo, Christopher J. Mundy, Matthew J. McGrath et al. · The Journal of Physical Chemistry B · 2004 · 338 citations

Engineering, Liquid-liquid Flow, Computational Chemistry +19

General and efficient algorithms for obtaining maximally localized Wannier functions

Gerd Berghold, Christopher J. Mundy, A. Romero et al. · Physical review. B, Condensed matter · 2000 · 291 citations

Numerical Analysis, Mathematical Programming, Engineering +20