David Kofke
Sessions chaired or co-chaired:
CACHE Symposium: Honoring Award Recipients2010 Annual Meeting
In Honor of Peter Monson II (Invited Talks)
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
Authored:
(68b) Improving the Efficiency of Virial-Coefficient Calculations: a Hybrid Approach Employing Integral-Equation Theories and Mayer-Sampling Monte Carlo2009 Annual Meeting
(386b) Development of a Molecular Based Computational Approach for Compressed and Supercritical Fluids2009 Annual Meeting
(53b) Atomistic Modeling of Tin Surface and Grain Boundary Diffusion2009 Annual Meeting
(180r) Consideration of the Entropy in the Prediction of Stable Crystalline Polymorphs2009 Annual Meeting
(52e) Efficient, Precise and Accurate Methods of Calculating Solid-Phase Free Energies by Molecular Simulation2011 Annual Meeting
(148b) Molecular Simulation Modules for Instruction In Thermodynamics, Transport, Kinetics, and Materials2011 Annual Meeting
(128b) Molecular Based Modeling of Polarizable Water Via Calculation of Cluster Integrals Based On Wertheim's Association Theory2011 Annual Meeting
(289e) Monte Carlo Calculations of the Virial Coefficients for Development of Potential Models2011 Annual Meeting
(253u) Mapped Averaging for Highly Efficient Evaluation of Fluid-Phase Properties By Molecular Simulation
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(153d) Modeling of Near-Critical and Supercritical Properties Via the Virial Equation of State
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(595f) Making Molecular Modeling and Simulation a Mainstream Source of Data for Chemical Engineering Applications
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(156e) Harmonically-Mapped Averaging Applied to Lennard-Jones Crystal Phase
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(666h) First-Principles Phase Diagrams: Iron at Earth’s Inner Core Conditions with Full Inclusion of Anharmonic and Finite-Size Effects
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(620a) Molecular Based Modeling of Associating Fluids Via Calculation of Wertheim Cluster Integrals2010 Annual Meeting
(686a) Computation of Virial Coefficients for Quantum-Mechanical Models Employing the Becke-Johnson Model of Dispersion2010 Annual Meeting
(191ad) Faster Computation of Virial Coefficients Via Mayer-Sampling Monte Carlo, Integral-Equation Theories, and Graphics Processing Units2010 Annual Meeting
(685b) Mapped Averaging Methods for Accurate and Precise Evaluation of Free Energies and Other Properties By Molecular Simulation
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(708e) Evaluation of Virial Coefficients and Their Temperature Derivatives for Multibody Potential Models
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(392c) Evaluation of Defect Concentrations in Crystalline Systems Via Molecular Simulation
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(736d) Interactive Extensible Molecular Simulations with Etomica
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(1g) Quantifying Uncertainty in Molecular Simulations
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(208c) Critical Properties Extracted From Virial Series Using Approximants Consistent With Universal Scaling-Laws
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(334a) Evaluation of Thermodynamic Properties of Gas Mixtures Via the Virial Equation of State With Accurate Molecular Models
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(591e) Calculation of Virial Coefficients On Graphics Processors
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(629e) Virial Coefficient Theory for Adsorption of Gas Mixtures
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(384h) Efficient Calculation of Solid-Fluid and Solid-Solid Coexistence, Including Consideration of Point Defects
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(372q) A Web-Based Database-Driven Assessment Management Tool
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(476d) Computational Cluster-Integral Methods for Solutions
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(683h) Implementation of Harmonically Mapped Averaging Methods in Popular Molecular Simulation Codebases
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(508d) Computing Virial Coefficients to Assess the Accuracy of Intermolecular Potentials
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(382x) Molecular Calculation of the Critical Parameters of Classical Helium
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(63a) Experimental Validation of 2- and 3-Body Ab Initio Potentials for Helium-4 Via Second to Seventh Virial Coefficients
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(746c) [Invited Talk] Quantifying Dynamic Heterogeneity of Glasses: Percolation Perspective
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(482d) Mapped-Averaging Formulations for Evaluation of Singlet and Multibody Density Distributions
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(161f) A Software Module for Calculation of Virial Coefficients of Macromolecules
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(346ba) Virial Coefficients As a Route from Molecular Models to Accurate Thermodynamic Models
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(733c) Evaluation of Osmotic Virial Coefficients with Support from Gas Phase Mixture Coefficients
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(588a) Efficient Measurement of Anharmonic Mechanical Properties of Crystals Using Normal-Mode Mapping
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
Associated proceedings:
2009 Annual Meeting
2011 Annual Meeting
2016 AIChE Annual Meeting
2010 Annual Meeting
2017 Annual Meeting
2013 AIChE Annual Meeting
2018 AIChE Annual Meeting
2019 AIChE Annual Meeting
2020 Virtual AIChE Annual Meeting
2021 Annual Meeting