Juan J. de Pablo
Authored
(613g) What Insights Can Machine Learning Provide Towards Multiblock Copolymer Self Assembly?
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(192e) Machine Learning-Directed Advanced Sampling Simulations of Reactions in Condensed Phases
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(138b) Stability and Molecular Pathways to the Formation of Spin Defects in Silicon Carbide
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(303b) Combining Particle-Based Simulations and Machine Learning Models for the Prediction of Defect Kinetics in Thin Films of Symmetric Diblock Copolymers
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(723i) Dynamic Simulations of the "Bricks-and-Mortar" Mesophase in Miktoarm Block Copolymer/Homopolymer Blends
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(500f) Automated Multiscale Simulations for Materials Discovery
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(733d) Polyelectrolyte Complex Coacervation across a Broad Range of Linear Charge Densities
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(356l) Scaling Theory of Single-Chain Sequence-Specific Polyampholytes
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(713a) Polymer Design in the Era of Machine Learning
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(403a) Unifying Weak and Strong Charge Correlations within the Random Phase Approximation for Sequence-Defined Polyampholytes
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(482d) Molecular Characterization of High Ionic Conductivity in Fluoroether Lithium Metal Battery Electrolytes
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(244f) Microphase Separation in Diblock Copolymer Material Driven By Solvent Evaporation
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(242f) Shear-Driven Ordering and Disordering of 2D Frictional Sphere Suspensions
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(403h) Uptake Selectivity of Nanoparticles with Patterned Surface Charges in Sequence Controlled Polyampholyte Coacervates
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(388d) Rigid Structures in Frictional Dense Suspensions
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(622c) Machine Learning-Enabled Prediction of Electronic Properties of Radical Polymers at Coarse-Grained Resolutions
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(243b) Leveraging Polymer Glass Transition to Access Thermally-Switchable Dense Suspensions
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(383d) Light-Activated Janus Colloids within Thermotropic Liquid Crystals
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(197y) Pysages: Enhanced Sampling for Ab Initio Dynamics and Machine Learning Potentials
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(451k) Evaluating Robustness of Machine Learned Force Fields with Enhanced Sampling Methods
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(87m) Ion and Water Transport in Polynorbornene-Based Thin Film Membranes
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
Nucleosome-Resolution Structure Prediction at the Chromosome Scale: Implications for Forward-Prediction of Linker Histone Enrichment in Heterochromatin
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(87n) Understanding Water Absorption, Percolation, and Ion Transport in an Anion Exchange Membrane
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(566i) Pysages: Funnel Restraints for Ligand-Receptor Enhanced Sampling Calculations
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(505b) Local Deformations of Proteins through Molecular Simulations Reveal Allosteric Pathways
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(597g) Multiscale Simulations of Solid-State Redox-Active Polymers for Energy Storage
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(197af) Data-Driven Simulation of Chromatin Structure and the Epigenetic Code
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(566b) Pysages: Flexible, Efficient, GPU-Accelerated Sampling Methods
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(147z) Harnessing Molecular Simulations and Machine Learning to Predict Macromolecular Properties and Drive Efficient Polymer Recycling
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(2bz) Out-of-Equilibrium Generic Framework Predicts Concentration-Dependent Liquid Crystals
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(114c) Enhanced Power Output through Charged Nanopores2024 Spring Meeting and 20th Global Congress on Process Safety
Associated proceedings
2021 Annual Meeting
2022 Annual Meeting
2023 AIChE Annual Meeting
2024 Spring Meeting and 20th Global Congress on Process Safety