Andrew Schultz
Authored
(685f) Virial Coefficients of Flexible Molecules Using Path Integral Monte Carlo Methods to Capture Nuclear Quantum Effects
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(559c) The New Spiral Initiative to Unify the Chem.E. Curriculum at the University at Buffalo
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(469f) Crystal Structure Prediction of Rigid-Molecule Crystals: Application to Hydrate Clathrate
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(218a) A Crossover Model Based on the Virial Equation of State
2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)
(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)
(757e) Interfacial Properties of Model Systems Using Molecular Dynamics Based Framework
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)
(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
(373a) Mapped Averaging: Reformulation of Ensemble Averages for High-Precision, High-Efficiency Calculation of Properties By Molecular Simulation
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(561h) Molecular-Based Virial Coefficients of Pure Fluids and Mixtures
2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)
(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)
(675d) Virial Coefficients Of Hydrogen and Nitrogen Including Quantum Effects Using Path Integral Monte Carlo
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)
(318a) Development of Interface Potential Based Methods for Calculating the Wetting Properties of Complex Systems
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)
(698e) Molecular Simulation on the Antifouling Mechanism of Zwitterionic Materials
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)
(746c) [Invited Talk] Quantifying Dynamic Heterogeneity of Glasses: Percolation Perspective
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)
(555d) Virial Equation of State Using Volume-Dependent Coefficients
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
Associated proceedings
2014 AIChE Annual Meeting
2016 AIChE Annual Meeting
2010 Annual Meeting
2015 AIChE Annual Meeting Proceedings
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