Jim Pfaendtner

Citation name

Pfaendtner, J.

Affiliation

University of Washington

State

WA

Country

USA

Steven and Connie Rogel Endowed Professor Chemical Engineering Professor Chemistry Chemical Engineering Department Chair Associate Vice Provost for Research Computing Staff Scientist, Pacific Northwest National Lab Senior Data Scientist, UW eScience Institute

Groups/Topicals chaired or co-chaired

Catalysis and Reaction Engineering Division

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

Computational Molecular Science and Engineering Forum

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Computational Molecular Science and Engineering Forum

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Computational Molecular Science and Engineering Forum

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Computational Molecular Science and Engineering Forum

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Topical Conference: Applications of Data Science to Molecules and Materials

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

Topical Conference: Applications of Data Science to Molecules and Materials

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

Topical Conference: Applications of Data Science to Molecules and Materials

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

Sessions chaired or co-chaired

Forum Plenary: Computational Molecular Science and Engineering Forum (Invited Talks)

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

Forum Plenary: Computational Molecular Science and Engineering Forum (Invited Talks)

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Forum Plenary: Computational Molecular Science and Engineering Forum Part 1 (Invited Talks)

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

Forum Plenary: Computational Molecular Science and Engineering Forum Part 2 (Invited Talks)

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Multiscale and Molecular Modeling for Renewable Energy Systems

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Panel Discussion: Chemical Process and Product Design Careers in Industry & Academia (Invited Talks)

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Plenary Session: Computational Molecular Science and Engineering Forum (Invited Talks)

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Plenary Session: Computational Molecular Science and Engineering Forum (Invited only)

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

Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF)

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

Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF)

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

Reaction Path Analysis

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

Topical Plenary: Topical Conference in Molecular and Materials Data Science (Invited Talks)

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

Topical Plenary: Topical Conference in Molecular and Materials Data Science (Invited Talks)

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

Topical Plenary: Topical Conference in Molecular and Materials Data Science (Invited Talks)

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

Areas chaired or co-chaired

Applications of Data Science to Molecules and Materials

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

Applications of Data Science to Molecules and Materials

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Applications of Data Science to Molecules and Materials

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Computational Molecular Science and Engineering Forum

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Computational Molecular Science and Engineering Forum

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

Computational Molecular Science and Engineering Forum

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

Computational Molecular Science and Engineering Forum

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

Authored

(260as) Correlating Solid-Binding Peptide Structure with Biomimetic Function

Brittney Hellner

Francois Baneyx

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

(738a) Computational Tools for Studying Peptide Based Templating of Novel Materials (Invited Talk)

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

(253af) Effects of Ionic Liquids on HP35 Folding Thermodynamics

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

(253ax) Understanding the Structure and Function of Enzymes in ILs for Improved Biocatalysis

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

(738f) Combining Simulation and Spectroscopy to Determine the Structure and Orientation of a Carbohydrate Binding Module (CBM) Inspired Model Peptide on Cellulose

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

(334c) Combining Simulation and Spectroscopy to Determine the Structure and Orientation of a Carbohydrate Binding Module (CBM)-Inspired Model Peptide on Cellulose

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

(681h) Application of High Performance Computing and Machine Learning to Accelerate Material Discovery for Energy Capture and Storage

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

(253be) Exploration of the Hierarchal Roles of Surface Features Facilitating the Adsorption of Biomolecules

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

(773i) Aggregation and Self-Assembly of Biomimetic Polymers at Interfaces

Christopher J. Mundy

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

(192u) Protein Adsorption on Surfaces: The Role of Forcefield and Surface Ions

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

(582ax) Analyzing Reaction Networks and Pathway Kinetics Via Metadynamics Simulations

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

(39d) Using Metadynamics to Resolve and Characterize Complex Reactions at the Molecular Scale

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

(129c) Douglas-fir Tannin Inhibition of Trichoderma Reesei Cellulase

Daniel T. Schwartz

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

(214al) Free Energy of Solvated Salt Bridges: A Simulation and Experimental Study

Andrew D. White

Andrew J. Keefe

Ann K. Nowinski

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(16e) Computational Investigation of Solvent Effects On the Hydrolysis of Ether Linkages

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(76j) A New Graduate Level Seminar to Prepare Students for the Next Step in Their Careers

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(583bx) Conversion of Supercritical Bioethanol Into Hydrocarbons Over HZSM-5 Zeolite

Fernando Resende

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(529b) Spatio-Temporal Carbohydrate Characterization of Wood Particles During Fast Pyrolysis

Alex D. Paulsen

Paul J. Dauenhauer

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(577f) Invited: Probing Surface Effects On the Orientation and Conformation of Adsorbed Proteins With Multiscale Simulations

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(133e) Comparison of Ionic Liquid-Tolerant Glycoside Hydrolases Using Molecular Dynamics

Patrick R. Burney

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(214z) A Molecular Dynamics Study of the Effects of Ionic Liquids On Human Serum Albumin

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

(41c) Understanding the Role of Ionic Liquids in the Enzyme Catalyzed Breakdown of Cellulose Using Molecular Dynamics Simulations

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(735c) Investigating the Role of Phosphorylation and pH in Peptide Binding to Silica

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(423a) Investigating the Driving Forces of Assembly in Concentrated Electrolyte Solutions

Christopher J. Mundy

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(189v) Biasing High-Dimensional Free-Energy Landscapes for the Detection of Stable Clusters in Self-Assembling Systems

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(13e) Investigating the Effect of Concentration on the Interaction of Electrolytes with Interfaces

Christopher J. Mundy

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(604g) Correlating Solid-Binding Peptide Structure with Biomimetic Function

Brittney Hellner

François Baneyx

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(189b) Probing Enzyme Catalyzed Hydrolysis of Cellulose in Ionic Liquids Using Enhanced Sampling Techniques

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(35e) The Mechanism of Xylose Pyrolysis

Paul Dauenhauer

Chowdhury Ashraf

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(50d) Using Enhanced Sampling Methods to Study the Behavior of Osteocalcin on Mineral Surfaces

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(291c) Elucidating Additive Effects on Oligomerization Reaction Mechanisms during Solid-Electrolyte Interphase Formation Using Molecular Simulations

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(6if) Multiscale Modeling and Enhanced Sampling to Probe Peptide and Peptidomimetic Assemblies

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(73d) Multiscale Modeling and Enhanced Sampling to Examine Self-Assembly in Peptide and Peptoid Systems

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(704g) Binding Mechanism of Titania Binding Peptide (TBP) on Titania from MD Simulations

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(376as) Modeling Inhibition of Biocatalysts By Ionic Liquids Using Metadynamics

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Varying PLGA and Peg Oligomer Extension Reveals Favorable Protein/Polymer Interactions Critical to Drug Loading of PLGA-Peg Nanoparticles

Christopher Nyambura

Elizabeth Nance

2019 AfroBiotech Conference

(286h) The Influence of Sequenced Peptoids in Controlling Five-Fold Twinned Au Nanostar Formation

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

(346t) Simulation-Guided Tuning of Sequenced Peptoids Towards Achieving Shape-Controlled Au Nanocrystal Growth

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

(650a) Exploring Structure and Dynamics of PLGA-Based Materials in Solvents Relevant to Nanoparticle Formulation

Christopher Nyambura

Elizabeth Nance

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

(647c) Designing Sequence Controlled Polymers for Biomineralization: A Predictive Approach Using Molecular Dynamics Simulations

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

(219b) Kinexns (Kinetics of Reactions): an Open Source Python Package for Chemical Kinetic Modeling

Chowdhury Ashraf

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

(346r) Discovery of Chemical Descriptors/Features in Predicting Protein-Ligand Binding Properties Using 3D Convolutional Neural Network

Chowdhury Ashraf

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

(683a) Determination of Orientation and Conformation of Lysozyme at the Air-Water Interface Using an Integrated MD/SFG Approach

Steven J. Roeters

Thaddeus Golbek

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

(346s) Hierarchical Assembly of Peptoids into Complex Nanostructures

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

(220f) Computational Investigations of the Effect of Electrostatic Environment on Silica Self-Assembly

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

(11i) Explaining Preferential Binding of Proteins to Mica Surfaces By Analysis of Ion-Water-Surface Interactions

Jesse Prelesnik

Christopher J. Mundy

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

(420e) Computing Electron Transfer Rates for Ethylene Carbonate Reduction with Marcus Theory Using Molecular Simulations

Christopher J. Mundy

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

(346aj) Polyatomic Ion Intercalation into Thiophene-Based Oligomers: Thermodynamics and Impacts on Inter-Chain Charge Transfer

Jesse Prelesnik

David S. Ginger

Christopher J. Mundy

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

(346f) Oxide-Generation Reactions in Lithium-Ion Batteries: A Reaction Coordinate Analysis

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

(356k) Optimization of Thermal Conductivity at Interfaces Using Learning Algorithms

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

(346bs) Structure/Dynamics of Electrolyte at Various Graphitic Electrode Interfaces

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

(95i) Stability of Peptoid Sheets and Tubes with Atomistic Molecular Dynamics Simulations

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

(127d) A Predictive Multi-Scale Computational Model for Protein-Functioned Reversible Silica Nanoparticle Self-Assembly

Christopher J. Mundy

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

(435e) Fast Prediction of Peptide-Surface Interaction without Massive Enhanced Sampling

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

(506a) Open Source Data Science Education Materials for Chemical Engineers

Stephanie Valleau

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

(203d) Giving Attention to Generative Models for De Novo Molecular Design

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

(723e) Altering PLGA-Peg, PLGA and Peg Oligomer Extension to Understand Driving Forces behind Protein/Polymer Binding, Using Atomistic Molecular Dynamics.

Christopher Nyambura

Elizabeth Nance

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

(118f) You May Not Have Noticed, but Your Neural Network Did: Machine Learning from Simulated Enzyme Variants

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

(588i) Exploration of the Secondary Structure Peptoid Folding Landscape with Metadynamics

Kaylyn Torkelson

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

(35c) Hierarchical Self-Assembly Pathways of Peptoid Helical Rods and Sheets

Kacper Lachowski

Christopher J. Mundy

Andrew Ferguson

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

(453a) Focus on What Matters – Advice on How to Spend More Time Doing the Things You Enjoy and Manage Your Academic Life

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

Panel Discussion: Chemical Process and Product Design Careers in Industry & Academia

Aditi Deshpande

Jennifer L. Anthony

Kishori Deshpande

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

(326f) Exploration of Tertiary Structure in Sequence-Defined Polymers Using Molecular Dynamics Simulations

Kaylyn Torkelson

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(652c) Quick and Accurate Estimates of Mutation Effects on Relative Activity of Enzymes from Molecular Simulations with Restrained Transition States

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(53b) Fully Automated in silico Enzyme Engineering with a Simulation and Machine Learning Feedback Loop

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(416f) Graph Hysteria – Comparing the Generative Performance of Graph and String-Based Translation Vaes for Molecular Design

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(2id) Integrating across Scales in Computational Protein Engineering

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(622f) Systematic Investigation of Training Protocols for Machine Learning Derived Interatomic Potentials

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(541a) Understanding and Controlling Properties of Biomimetic Polymers

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(545d) Multi-Scale Approach to Predict Tunable Organic-Inorganic Nanoparticle Self-Assembly

Brandi Cossairt

François Baneyx

Christopher J. Mundy

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

(620g) Structure and Stability of Peptoid Nanosheets and Nanotubes: Computation, Experiment, and Theory

Andrew Ferguson

James J. De Yoreo

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

(560c) Sequence-Tunable Materials for Silica Biomimetic Mineralization

Kaylyn Torkelson

François Baneyx

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

Associated proceedings

2016 AIChE Annual Meeting

2017 Annual Meeting

2013 AIChE Annual Meeting

2018 AIChE Annual Meeting

2019 AIChE Annual Meeting

2019 AfroBiotech Conference

2020 Virtual AIChE Annual Meeting

2021 Annual Meeting

2022 Annual Meeting

2023 AIChE Annual Meeting