Cover Image

Kinematics Modeling of Peroxy Free Radicals: A Deep Reinforcement Learning Approach

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Nayak, Subhadarsi, Shalu, Hrithwik, Stember, Joseph
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Computational Engineering, Finance, and Science Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Adaptive Catalyst Discovery Using Multicriteria Bayesian Optimization with Representation Learning
by: Chen, Jie, et al.
Published: (2024)

${\it Asparagus}$: A Toolkit for Autonomous, User-Guided Construction of Machine-Learned Potential Energy Surfaces
by: Töpfer, Kai, et al.
Published: (2024)

A neural network machine-learning approach for characterising hydrogen trapping parameters from TDS experiments
by: Marrani, N., et al.
Published: (2025)

Life cycle assessment for all organic chemicals
by: Chen, Shaohan, et al.
Published: (2026)

A Theoretical Framework for an Efficient Normalizing Flow-Based Solution to the Electronic Schrodinger Equation
by: Freedman, Daniel, et al.
Published: (2024)

Neural Network Surrogates for Free Energy Computation of Complex Chemical Systems
by: Pornpatcharapong, Wasut
Published: (2025)

Known Unknowns: Out-of-Distribution Property Prediction in Materials and Molecules
by: Segal, Nofit, et al.
Published: (2025)

2DNMRGym: An Annotated Experimental Dataset for Atom-Level Molecular Representation Learning in 2D NMR via Surrogate Supervision
by: Li, Yunrui, et al.
Published: (2025)

ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback
by: Sprueill, Henry W., et al.
Published: (2024)

MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra
by: Wang, Liang, et al.
Published: (2025)

Accurate and scalable exchange-correlation with deep learning
by: Luise, Giulia, et al.
Published: (2025)

Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning
by: Zhang, Situo, et al.
Published: (2025)

A recipe for scalable attention-based MLIPs: unlocking long-range accuracy with all-to-all node attention
by: Qu, Eric, et al.
Published: (2026)

Hybrid Machine Learning for Enhanced Prediction of Diffusion Coefficients in Liquids
by: Wagner, Jens, et al.
Published: (2026)

Dynamic Modeling of Precipitation in Electrolyte Systems
by: Kemmerling, Niklas, et al.
Published: (2025)

DiffSpectra: Molecular Structure Elucidation from Spectra using Diffusion Models
by: Wang, Liang, et al.
Published: (2025)

Deep Reinforcement Learning for Modelling Protein Complexes
by: Gao, Ziqi, et al.
Published: (2024)

TDS Simulator: A MATLAB App to model temperature-programmed hydrogen desorption
by: García-Macías, E., et al.
Published: (2024)

Efficient Numerical Schemes for Multidimensional Population Balance Models
by: Inguva, Pavan, et al.
Published: (2022)

Deep Reinforcement Learning in Factor Investment
by: Liu, Junlin
Published: (2025)

GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation
by: Ock, Janghoon, et al.
Published: (2024)

Unravelling the interplay between steel rebar corrosion rate and corrosion-induced cracking of reinforced concrete
by: Korec, E., et al.
Published: (2024)

Mathematical modelling of flow and adsorption in a gas chromatograph
by: Cabrera-Codony, A., et al.
Published: (2024)

A finite element solver for a thermodynamically consistent electrolyte model
by: Habscheid, Jan, et al.
Published: (2025)

MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform
by: Chiang, Yuan, et al.
Published: (2025)

Mechanistic Modeling of Continuous Lyophilization for Biopharmaceutical Manufacturing
by: Srisuma, Prakitr, et al.
Published: (2024)

A computational framework to predict weld integrity and microstructural heterogeneity: application to hydrogen transmission
by: Wijnen, J., et al.
Published: (2024)

A nonlinear phase-field model of corrosion with charging kinetics of electric double layer
by: Makuch, M., et al.
Published: (2024)

A COMSOL framework for predicting hydrogen embrittlement -- Part I: coupled hydrogen transport
by: Díaz, A., et al.
Published: (2025)

A COMSOL framework for predicting hydrogen embrittlement -- Part II: phase field fracture
by: Díaz, A., et al.
Published: (2025)

Uncertainty Quantification in Detecting Choroidal Metastases on MRI via Evolutionary Strategies
by: McRae-Posani, Bala, et al.
Published: (2024)

COBRAPRO: A MATLAB toolbox for Physics-based Battery Modeling and Co-simulation Parameter Optimization
by: Ha, Sara, et al.
Published: (2024)

Multi-Objective Reinforcement Learning-based Approach for Pressurized Water Reactor Optimization
by: Seurin, Paul, et al.
Published: (2023)

Corrosion of metal reinforcements within concrete and localisation of supporting reactions under natural conditions
by: Hageman, T., et al.
Published: (2025)

Deep Reinforcement Learning Based Toolpath Generation for Thermal Uniformity in Laser Powder Bed Fusion Process
by: Qin, Mian, et al.
Published: (2024)

Realistic Market Impact Modeling for Reinforcement Learning Trading Environments
by: Abbade, Lucas Riera, et al.
Published: (2026)

Diffusion-Augmented Reinforcement Learning for Robust Portfolio Optimization under Stress Scenarios
by: Choudhary, Himanshu, et al.
Published: (2025)

The Enhanced Physics-Informed Kolmogorov-Arnold Networks: Applications of Newton's Laws in Financial Deep Reinforcement Learning (RL) Algorithms
by: Thoi, Trang, et al.
Published: (2026)

Large and Deep Factor Models
by: Kelly, Bryan, et al.
Published: (2024)

The Best of Both Worlds: Hybridizing Neural Operators and Solvers for Stable Long-Horizon Inference
by: Roy, Rajyasri, et al.
Published: (2025)