Christopher J. Mundy

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Gregory SchenterPacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov
Marcel BaerScientist, PNNLVerifisert e-postadresse på pnnl.gov
J. Ilja SiepmannDepts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. MinnesotaVerifisert e-postadresse på umn.edu
Jim De YoreoPNNL and University of WashingtonVerifisert e-postadresse på pnnl.gov
Juerg HutterProfessor of Chemistry, University of ZurichVerifisert e-postadresse på chem.uzh.ch
Michael L KleinTemple UniversityVerifisert e-postadresse på temple.edu
Douglas TobiasDepartment of Chemistry, UC IrvineVerifisert e-postadresse på uci.edu
Nir GoldmanLLNL, UC DavisVerifisert e-postadresse på llnl.gov
Jaehun ChunPacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov
Benjamin A LeggPacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov
Timothy DuignanUniversity of QueenslandVerifisert e-postadresse på uq.edu.au
michele parrinelloDepartment of ChemistryVerifisert e-postadresse på phys.chem.ethz.ch
Mirza GalibAssistant Professor, Department of Chemistry, Howard UniversityVerifisert e-postadresse på howard.edu
Joost VandeVondeleDeputy Director for science, Head of Research Infrastructure Engineering, CSCS, ETH ZurichVerifisert e-postadresse på cscs.ch
Alessandro CurioniIBM Fellow - VP Europe & Africa and Director - IBM Research ZurichVerifisert e-postadresse på zurich.ibm.com
Mark E TuckermanNew York UniversityVerifisert e-postadresse på nyu.edu
Balasubramanian SundaramProfessor, Chemistry & Physics of Materials Unit, JNCASR, Bangalore, IndiaVerifisert e-postadresse på jncasr.ac.in
Shuai ZhangPacific Northwest National LaboratoryVerifisert e-postadresse på uw.edu
Matthias KrackMultiscale Materials Modelling Group, Paul Scherrer Institut (PSI)Verifisert e-postadresse på psi.ch
Abraham C SternNVIDIAVerifisert e-postadresse på nvidia.com

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Christopher J. Mundy

Pacific Northwest National Laboratory

Verifisert e-postadresse på pnnl.gov

Statistical Mechanics


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
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	2756	2020
An ab initio molecular dynamics study of the aqueous liquid-vapor interface IFW Kuo, CJ Mundy Science 303 (5658), 658-660, 2004	454	2004
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	430	2004
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	393	2009
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	305	2006
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	277	2000
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	276	2005
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	224	2009
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	207	2011
On the classical statistical mechanics of non-Hamiltonian systems ME Tuckerman, CJ Mundy, GJ Martyna Europhysics Letters 45 (2), 149, 1999	206	1999
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	196	2008
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 (1), 339-359, 2013	195	2013
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	171	1997
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	161	2018
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	158	1997
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	156	2006
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	150	2007
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	149	2011
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	146	2009
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	143	2006

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