Christopher J. Mundy

Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory

Affiliated withPacific Northwest National Laboratory University of Washington

Research Area

Biography

Christopher J. Mundy has not added Biography.
If you are Christopher J. Mundy and would like to personalize this page please email our Author Liaison for assistance.

JoVE Journal Publications

ArticleTotal : 1	Year
Publication title Cited by 2	2021

Other Publications

Article	Year
Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compression. The Journal of chemical physics\| PubMed ID: 18532830	2008
Neutron powder diffraction and molecular simulation study of the structural evolution of ammonia borane from 15 to 340 K. The journal of physical chemistry. A\| PubMed ID: 19374410	2009
Acid/base equilibria in clusters and their role in proton exchange membranes: computational insight. Physical chemistry chemical physics : PCCP\| PubMed ID: 19462570	2007
Electronic effects on the surface potential at the vapor-liquid interface of water. Journal of the American Chemical Society\| PubMed ID: 19554692	2008
No confinement needed: observation of a metastable hydrophobic wetting two-layer ice on graphene. Journal of the American Chemical Society\| PubMed ID: 19670866	2009
Improving the density functional theory description of water with self-consistent polarization. The Journal of chemical physics\| PubMed ID: 20441253	2010
Probing the hydration structure of polarizable halides: a multiedge XAFS and molecular dynamics study of the iodide anion. The journal of physical chemistry. B\| PubMed ID: 20849138	2010
Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice. The journal of physical chemistry. A\| PubMed ID: 21370904	2011
Understanding the surface potential of water. The journal of physical chemistry. B\| PubMed ID: 21449605	2011
Re-examining the properties of the aqueous vapor-liquid interface using dispersion corrected density functional theory. The Journal of chemical physics\| PubMed ID: 21974557	2011
An ab initio approach to understanding the specific ion effect. Faraday discussions\| PubMed ID: 23795495	2013
Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane. The journal of physical chemistry. B\| PubMed ID: 24320080	2013
Toward a unified picture of the water self-ions at the air-water interface: a density functional theory perspective. The journal of physical chemistry. B\| PubMed ID: 24762096	2014
Persistent ion pairing in aqueous hydrochloric acid. The journal of physical chemistry. B\| PubMed ID: 24837190	2014
The role of solvent heterogeneity in determining the dispersion interaction between nanoassemblies. The journal of physical chemistry. B\| PubMed ID: 25872971	2015
Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics. The Journal of chemical physics\| PubMed ID: 26001466	2015
The Role of Broken Symmetry in Solvation of a Spherical Cavity in Classical and Quantum Water Models. The journal of physical chemistry letters\| PubMed ID: 26278076	2014
Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics. The journal of physical chemistry letters\| PubMed ID: 26279540	2014
Electrochemical Surface Potential Due to Classical Point Charge Models Drives Anion Adsorption to the Air-Water Interface. The journal of physical chemistry letters\| PubMed ID: 26285639	2012
Polarization- and Azimuth-Resolved Infrared Spectroscopy of Water on TiO2(110): Anisotropy and the Hydrogen-Bonding Network. The journal of physical chemistry letters\| PubMed ID: 26286290	2012
Dependence of the Rate of LiF Ion-Pairing on the Description of Molecular Interaction. The journal of physical chemistry. B\| PubMed ID: 26501355	2016
The Effect of Polarizability for Understanding the Molecular Structure of Aqueous Interfaces. Journal of chemical theory and computation\| PubMed ID: 26636197	2007
Local Aqueous Solvation Structure Around Ca(2+) During Ca(2+)···Cl(-) Pair Formation. The journal of physical chemistry. B\| PubMed ID: 26788746	2016
Divalent Ion Parameterization Strongly Affects Conformation and Interactions of an Anionic Biomimetic Polymer. The journal of physical chemistry. B\| PubMed ID: 26882842	2016
Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations. Physical review. E\| PubMed ID: 27627409	2016
Tuning crystallization pathways through sequence engineering of biomimetic polymers. Nature materials\| PubMed ID: 28414316	2017
Mass density fluctuations in quantum and classical descriptions of liquid water. The Journal of chemical physics\| PubMed ID: 28668048	2017
Trends in mica-mica adhesion reflect the influence of molecular details on long-range dispersion forces underlying aggregation and coalignment. Proceedings of the National Academy of Sciences of the United States of America\| PubMed ID: 28679632	2017
Marcus Theory of Ion-Pairing. Journal of chemical theory and computation\| PubMed ID: 28715638	2017
Real single ion solvation free energies with quantum mechanical simulation. Chemical science\| PubMed ID: 28989643	2017
Water Lone Pair Delocalization in Classical and Quantum Descriptions of the Hydration of Model Ions. The journal of physical chemistry. B\| PubMed ID: 29378124	2018
Supersaturated calcium carbonate solutions are classical. Science advances\| PubMed ID: 29387793	2018
Peptoid Backbone Flexibilility Dictates Its Interaction with Water and Surfaces: A Molecular Dynamics Investigation. Biomacromolecules\| PubMed ID: 29443506	2018
Understanding the scale of the single ion free energy: A critical test of the tetra-phenyl arsonium and tetra-phenyl borate assumption. The Journal of chemical physics\| PubMed ID: 29907030	2018
Detecting the undetectable: The role of trace surfactant in the Jones-Ray effect. The Journal of chemical physics\| PubMed ID: 30466279	2018
Direct Observation of the Orientational Anisotropy of Buried Hydroxyl Groups inside Muscovite Mica. Journal of the American Chemical Society\| PubMed ID: 30615440	2019
The Diverse Nature of Ion Speciation at the Nanoscale Hydrophobic/Water Interface. The journal of physical chemistry. B\| PubMed ID: 30763096	2019
Molecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air-water interface. Proceedings of the National Academy of Sciences of the United States of America\| PubMed ID: 31278149	2019
Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder. Physical chemistry chemical physics : PCCP\| PubMed ID: 31894785	2020
Visualization of Aluminum Ions at the Mica Water Interface Links Hydrolysis State-to-Surface Potential and Particle Adhesion. Journal of the American Chemical Society\| PubMed ID: 32079390	2020
Connecting energetics to dynamics in particle growth by oriented attachment using real-time observations. Nature communications\| PubMed ID: 32098968	2020
Nanometer-Scale Correlations in Aqueous Salt Solutions. The journal of physical chemistry letters\| PubMed ID: 32163289	2020
Resolving Heterogeneous Dynamics of Excess Protons in Aqueous Solution with Rate Theory. The journal of physical chemistry. B\| PubMed ID: 32482074	2020
Method for Accurately Predicting Solvation Structure. Journal of chemical theory and computation\| PubMed ID: 32589428	2020
Solvent reaction coordinate for an S2 reaction. The Journal of chemical physics\| PubMed ID: 32668925	2020
MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids. The journal of physical chemistry. B\| PubMed ID: 32790381	2020
Correlation function approach for diffusion in confined geometries. Physical review. E\| PubMed ID: 32942374	2020
Quantifying the Dynamics of Protein Self-Organization Using Deep Learning Analysis of Atomic Force Microscopy Data. Nano letters\| PubMed ID: 33306401	2021
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of chemical physics\| PubMed ID: 33687235	2020
Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes. Accounts of chemical research\| PubMed ID: 34137593	2021
Ion-dependent protein-surface interactions from intrinsic solvent response. Proceedings of the National Academy of Sciences of the United States of America\| PubMed ID: 34172582	2021
Natural Charge-Transfer Analysis: Eliminating Spurious Charge-Transfer States in Time-Dependent Density Functional Theory via Diabatization, with Application to Projection-Based Embedding. Journal of chemical theory and computation\| PubMed ID: 34189922	2021