:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Lee, Brian H., Li, Chunyu, Pantoya, Aidan, Larentzos, James P., Brennan, John K., Strachan, Alejandro
Format:	Preprint
Published:	2026
Subjects:	Materials Science
Online Access:	https://arxiv.org/abs/2601.02327
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Microstructure-Aware Deep Learning Bridges Atomistics to Macroscale for Shock-to-Detonation Prediction
by: Gonzalez-Zapata, Simon, et al.
Published: (2026)

Graph neural network coarse-grain force field for the molecular crystal RDX
by: Lee, Brian H., et al.
Published: (2024)

Multi-Task Multi-Fidelity Learning of Properties for Energetic Materials
by: Appleton, Robert J., et al.
Published: (2024)

Influence of Polymer on Shock-Induced Pore Collapse: Hotspot Criticality through Reactive Molecular Dynamics
by: Macatangay, Jalen, et al.
Published: (2024)

Spall strength of symmetric tilt grain boundaries in 6H silicon carbide
by: Li, Chunyu, et al.
Published: (2025)

Multi‐Task Multi‐Fidelity Learning of Properties for Energetic Materials
by: Robert J. Appleton, et al.
Published: (2024)

On resolving meso-scale calculations of pore-collapse-generated hotspots in energetic crystals for consistency with atomistic models
by: Okafor, Chukwudubem, et al.
Published: (2024)

Predictive models for strain energy in condensed phase reactions
by: Martin, Baptiste, et al.
Published: (2025)

Data Fusion of Deep Learned Molecular Embeddings for Property Prediction
by: Appleton, Robert J, et al.
Published: (2025)

Preferential Composition during Nucleation and Growth in Multi-Principal Elements Alloys
by: Mishra, Saswat, et al.
Published: (2023)

Accelerating active learning materials discovery with FAIR data and workflows: a case study for alloy melting temperatures
by: Harwani, Mohnish, et al.
Published: (2024)

Nuclear Quantum Effects in Multi-Step Condensed Matter Chemistry: A Path Integral Molecular Dynamics Study of Thermal Decomposition
by: Macatangay, Jalen, et al.
Published: (2026)

Exploration of Hexagonal, Layered Carbides and Nitrides as Ultra-High Temperature Ceramics
by: Nykiel, Kat, et al.
Published: (2025)

On the Jump Conditions for Shock Waves in Condensed Materials
by: Anand, Raj Kumar
Published: (2025)

Harnessing Machine Learning for Quantum-Accurate Predictions of Non-Equilibrium Behavior in 2D Materials
by: Zhang, Yue, et al.
Published: (2025)

A Data-Driven Parametric Reduced-Order Chemical Kinetics Model Derived from Atomistic Simulations
by: Sakano, Michael N., et al.
Published: (2026)

Modeling Framework to Predict Melting Dynamics at Microstructural Defects in TNT-HMX High Explosive Composites
by: Holbrook, Ethan, et al.
Published: (2025)

Active Learning for Generalizable Detonation Performance Prediction of Energetic Materials
by: Ullberg, R. Seaton, et al.
Published: (2026)

Machine learning descriptors for predicting the high temperature oxidation of refractory complex concentrated alloys
by: Bejjipurapu, Akhil, et al.
Published: (2025)

Thermodynamic Fidelity of Generative Models for Ising System
by: Lee, Brian H., et al.
Published: (2024)

Evaluating LLM-generated code for domain-specific languages: molecular dynamics with LAMMPS
by: Holbrook, Ethan, et al.
Published: (2026)

Bridging the Synthesizability Gap in Perovskites by Combining Computations, Literature Data, and PU Learning
by: Desai, Rushik, et al.
Published: (2025)

Precursor-Dependent Energetics as a Predictive Principle for Polymorph Selection in Thin Films
by: Kim, Hyeon Woo, et al.
Published: (2026)

Reduced Order Modeling of Energetic Materials Using Physics-Aware Recurrent Convolutional Neural Networks in a Latent Space (LatentPARC)
by: Gray, Zoë J., et al.
Published: (2025)

On the Convergence of Strong Cylindrical and Spherical Shock Waves in Solid Materials
by: Anand, R. K.
Published: (2025)

Toward Multi-Fidelity Machine Learning Force Field for Cathode Materials
by: Dong, Guangyi, et al.
Published: (2025)

Prediction of Frequency-Dependent Optical Spectrum for Solid Materials: A Multi-Output & Multi-Fidelity Machine Learning Approach
by: Ibrahim, Akram, et al.
Published: (2024)

Energetic contributions to deformation twinning in magnesium
by: Kapan, Enver, et al.
Published: (2023)

Conditional Generative Modeling for Amorphous Multi-Element Materials
by: Li, Honglin, et al.
Published: (2025)

Generative Chemical Language Models for Energetic Materials Discovery
by: Salij, Andrew, et al.
Published: (2026)

Computationally Predicted Electronic Properties and Energetics of Native Defects in Cubic Boron Nitride
by: Nguyen, Ngoc Linh, et al.
Published: (2024)

Exploring the defect landscape and dopability of chalcogenide perovskite BaZrS3
by: Desai, Rushik, et al.
Published: (2025)

A collaborative digital twin built on FAIR data and compute infrastructure
by: Deucher, Thomas M., et al.
Published: (2025)

A Deep Learning Potential for Accurate Shock Response Simulations in Tin
by: Chen, Yixin, et al.
Published: (2025)

Oxidized Carbon Nanoparticles Enhance Cellular Energetics With Application to Injured Brain
by: Karthik Mouli, et al.
Published: (2024)

Letter from England: Footnotes to 1973
by: Chambers, Aidan
Published: (1974)

Active Learning Discovery of High Temperature Oxidation Resistant Refractory Complex Concentrated Alloys
by: Bejjipurapu, Akhil, et al.
Published: (2025)

Multi-Fidelity Computational Screening of High-Entropy MBenes for CO$_2$ Electroreduction
by: H, Sree Harsha Bharadwaj, et al.
Published: (2026)

A General Neural Network Potential for Energetic Materials with C, H, N, and O elements
by: Wen, Mingjie, et al.
Published: (2025)

Supervised Pretraining for Material Property Prediction
by: Rahman, Chowdhury Mohammad Abid, et al.
Published: (2025)