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Christopher J. Mundy
Christopher J. Mundy
Verified email at pnnl.gov
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Cited by
Year
CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
The Journal of Chemical Physics 152 (19), 2020
16312020
An ab initio molecular dynamics study of the aqueous liquid-vapor interface
IFW Kuo, CJ Mundy
Science 303 (5658), 658-660, 2004
4532004
Liquid water from first principles: Investigation of different sampling approaches
IFW Kuo, CJ Mundy, MJ McGrath, JI Siepmann, J VandeVondele, M Sprik, ...
The Journal of Physical Chemistry B 108 (34), 12990-12998, 2004
4212004
Isobaric− isothermal molecular dynamics simulations utilizing density functional theory: an assessment of the structure and density of water at near-ambient conditions
J Schmidt, J VandeVondele, IFW Kuo, D Sebastiani, JI Siepmann, J Hutter, ...
The Journal of Physical Chemistry B 113 (35), 11959-11964, 2009
3852009
Molecular dynamics simulation of liquid water: hybrid density functionals
T Todorova, AP Seitsonen, J Hutter, IFW Kuo, CJ Mundy
The Journal of Physical Chemistry B 110 (8), 3685-3691, 2006
2882006
Dynamic ionization of water under extreme conditions
AF Goncharov, N Goldman, LE Fried, JC Crowhurst, IFW Kuo, CJ Mundy, ...
Physical review letters 94 (12), 125508, 2005
2742005
General and efficient algorithms for obtaining maximally localized Wannier functions
G Berghold, CJ Mundy, AH Romero, J Hutter, M Parrinello
Physical Review B 61 (15), 10040, 2000
2652000
No confinement needed: Observation of a metastable hydrophobic wetting two-layer ice on graphene
GA Kimmel, J Matthiesen, M Baer, CJ Mundy, NG Petrik, RS Smith, ...
Journal of the American Chemical Society 131 (35), 12838-12844, 2009
2112009
On the classical statistical mechanics of non-Hamiltonian systems
ME Tuckerman, CJ Mundy, GJ Martyna
Europhysics Letters 45 (2), 149, 1999
2041999
Understanding the surface potential of water
SM Kathmann, IFW Kuo, CJ Mundy, GK Schenter
The Journal of Physical Chemistry B 115 (15), 4369-4377, 2011
1952011
Simulation and theory of ions at atmospherically relevant aqueous liquid-air interfaces
DJ Tobias, AC Stern, MD Baer, Y Levin, CJ Mundy
Annual review of physical chemistry 64, 339-359, 2013
1892013
Electronic effects on the surface potential at the vapor− liquid interface of water
SM Kathmann, IFW Kuo, CJ Mundy
Journal of the American Chemical Society 130 (49), 16556-16561, 2008
1812008
Modified nonequilibrium molecular dynamics for fluid flows with energy conservation
ME Tuckerman, CJ Mundy, S Balasubramanian, ML Klein
The Journal of chemical physics 106 (13), 5615-5621, 1997
1611997
Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane
J By, I SIEPMANN, GM MARCUS
Molecular Physics 90 (5), 687-694, 1997
1591997
Simulating fluid-phase equilibria of water from first principles
MJ McGrath, JI Siepmann, IFW Kuo, CJ Mundy, J VandeVondele, J Hutter, ...
The Journal of Physical Chemistry A 110 (2), 640-646, 2006
1512006
Toward an understanding of the specific ion effect using density functional theory
MD Baer, CJ Mundy
The Journal of Physical Chemistry Letters 2 (9), 1088-1093, 2011
1452011
The effect of polarizability for understanding the molecular structure of aqueous interfaces
CD Wick, IFW Kuo, CJ Mundy, LX Dang
Journal of chemical theory and computation 3 (6), 2002-2010, 2007
1442007
Structure and Dynamics of the Aqueous Liquid− Vapor Interface: A Comprehensive Particle-Based Simulation Study
IFW Kuo, CJ Mundy, BL Eggimann, MJ McGrath, JI Siepmann, B Chen, ...
The Journal of Physical Chemistry B 110 (8), 3738-3746, 2006
1422006
Supersaturated calcium carbonate solutions are classical
K Henzler, EO Fetisov, M Galib, MD Baer, BA Legg, C Borca, JM Xto, ...
Science advances 4 (1), eaao6283, 2018
1322018
Hydroxide anion at the air–water interface
CJ Mundy, IFW Kuo, ME Tuckerman, HS Lee, DJ Tobias
Chemical Physics Letters 481 (1-3), 2-8, 2009
1312009
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