David Kofke

Citation name

Kofke, D.

Affiliation

State University of New York-Buffalo

State

NY

Country

USA

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 Carlo

Katherine R. Schadel

David Kofke

2009 Annual Meeting

(386b) Development of a Molecular Based Computational Approach for Compressed and Supercritical Fluids

David Kofke

Hye Min Kim

2009 Annual Meeting

(172f) Molecular Modeling Task Force Update

David Kofke

2009 Annual Meeting

(53b) Atomistic Modeling of Tin Surface and Grain Boundary Diffusion

Michael S. Sellers

David Kofke

Cemal Basaran

2009 Annual Meeting

(180r) Consideration of the Entropy in the Prediction of Stable Crystalline Polymorphs

2009 Annual Meeting

(52e) Efficient, Precise and Accurate Methods of Calculating Solid-Phase Free Energies by Molecular Simulation

Tai Boon Tan

David Kofke

2011 Annual Meeting

(148b) Molecular Simulation Modules for Instruction In Thermodynamics, Transport, Kinetics, and Materials

David Kofke

2011 Annual Meeting

(128b) Molecular Based Modeling of Polarizable Water Via Calculation of Cluster Integrals Based On Wertheim's Association Theory

Hye Min Kim

David Kofke

2011 Annual Meeting

(289e) Monte Carlo Calculations of the Virial Coefficients for Development of Potential Models

Katherine R. S. Shaul

David Kofke

2011 Annual Meeting

Asee/Cache Award Presentation

David Kofke

2011 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

David Kofke

Joern Siepmann

Joan F. Brennecke

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(156e) Harmonically-Mapped Averaging Applied to Lennard-Jones Crystal Phase

Andrew Schultz

Apoorva Purohit

David Kofke

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 Integrals

Hye Min Kim

Andrew Schultz

David Kofke

2010 Annual Meeting

(686a) Computation of Virial Coefficients for Quantum-Mechanical Models Employing the Becke-Johnson Model of Dispersion

Katherine R. S. Shaul

Andrew Schultz

David Kofke

2010 Annual Meeting

(191ad) Faster Computation of Virial Coefficients Via Mayer-Sampling Monte Carlo, Integral-Equation Theories, and Graphics Processing Units

Katherine R. S. Shaul

Srihari G. Sankararaman

Andrew Schultz

David Kofke

2010 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

Andrew Schultz

Alexander D. Kofke

David Kofke

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(1g) Quantifying Uncertainty in Molecular Simulations

David Kofke

Andrew Schultz

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(76f) Martin Yarmush Placeholder 4

David Kofke

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

Shu Yang

Andrew Schultz

David Kofke

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

Sabry Moustafa

David Kofke

Andrew Schultz

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

Akshara Goyal

Andrew Schultz

David Kofke

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

Navneeth Gokul

Andrew Schultz

David Kofke

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

Navneeth Gokul

David Kofke

Andrew Schultz

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

Navneeth Gokul

Andrew Schultz

David Kofke

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(733c) Evaluation of Osmotic Virial Coefficients with Support from Gas Phase Mixture Coefficients

David Kofke

Arpit Bansal

Andrew Schultz

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(588a) Efficient Measurement of Anharmonic Mechanical Properties of Crystals Using Normal-Mode Mapping

Sabry G. Moustafa

Andrew Schultz

David Kofke

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(555d) Virial Equation of State Using Volume-Dependent Coefficients

Andrew Schultz

David Kofke

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

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

2023 AIChE Annual Meeting

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David Kofke

Kofke, D.

State University of New York-Buffalo

NY

USA

Sessions chaired or co-chaired

Authored

Associated proceedings