Andrew White

(436a) Methods for Combining Experimental Data and Molecular Simulations into Hybrid Models

Jessica M. J. Swanson

Gregory A. Voth

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

(256x) Maximum Entropy Approaches to Creating Experimentally Consistent Biomaterial Models

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

(731i) New Methods for Combining Experimental Data and Molecular Simulations into Hybrid Models

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

(192x) Studying the Structure and Dynamics of Amyloid?(21?30) with Experiments and Simulations

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

(708i) Using Minimal Biasing Methods in Plumed and Lammps

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

(747i) Developing Theory and Data-Driven Benchmarks for General Coarse-Grained Mapping Operators

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

(39e) Improving Ab Initio Molecular Dynamics Simulations of Water with Experimental Data

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

(372o) Social and Tactile Augmented Reality in an Undergraduate Chemical Engineering Laboratory

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

(449f) Classifying Antimicrobial and Multifunctional Peptides with Machine Learning

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

(272c) Implementation and Automation of a Hierarchical Graph Based Approach for Extracting Coarse-Grain Mapping Operators

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

(49f) Stochastic Statistical Models of Vehicle-to-Grid Economics for Predicting Impact of Policy and Renewables Portfolio

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

(189w) GPU Accelerated Experiment Directed Metadynamics for Scattering Profile Biasing

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

(735b) Self-Assembly of Amyloid Peptide Fragments with Experiment Directed Simulations

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

(476g) Free Energy Landscape with Experiment Directed Simulations and Enhanced Sampling

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

(323c) Exploration of Interresidual Contacts in Combined Coarse Graining and Experiment Directed Simulations of A?42

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

(411f) HOOMD-TF: Online Machine Learning in Molecular Dynamics Simulations

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

(375l) Simview VR: a Software Pipeline for Virtual Reality Real-Time Molecular Dynamics Simulation and Visualization of Arbitrary Molecules

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

(376bq) Effects of Coexisting Familial Mutants on Wild Type Amyloid?21-30 Assembly

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

(13h) Simulation of Peg/Poly Aspartic Acid Micelles Provides Insight for Design of Drug-Delivery Systems

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

(544i) Molecular Dynamics Simulations of Zwitterionic Peptide Self-Assembly

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

(502c) Studying the Importance of Preserving Symmetry in Coarse-Grained Alkanes

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

(376ap) Systematic Coarse-Grained Mapping and Potential Learning

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

(482j) Iterative Peptide Discovery with Active Learning and Meta-Learning of Deep Convolutional Classifiers

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

(577a) Iterative Peptide Biomaterials Discovery with Maximum Entropy Methods and Deep Learning

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

(536d) Recent Advances in Maximum Entropy Methods

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

(536f) Theory and application of graph neural networks for molecular modeling

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

Geemi Wellawatte

Ziyue Yang

(330c) [Invited Talk] Improving Accuracy of Systematic Coarse-Grained Simulations

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

(35d) Peptide Framework for Screening the Effects of Amino Acids on Assembly

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

Seren Hamsici

Handan Acar

(815s) Virtual Q&A; Peptide Framework for Screening the Effects of Amino Acids on Assembly

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

Seren Hamsici

(426g) Maximum Entropy Inference in Chemical Reaction Networks with Unknown Kinetic Parameters

Handan Acar

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

Mehrad Ansari

(233a) Symmetric Molecular Dynamics

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

(360s) Positive Unlabeled Learning of Peptide Properties

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

(245b) Going Beyond Accurate Models - What Comes Next in Machine Learning

Mehrad Ansari

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

(663b) Redefining Structure-Property Relationships for Accelerating Decarbonization

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