Compositional Analysis of Fragrance Accords Using Femtosecond Thermal Lens Spectroscopy Paper • 2503.20431 • Published Mar 26, 2025 • 2
High-order finite element method for atomic structure calculations Paper • 2307.05856 • Published Jul 12, 2023 • 2
Bayesian Hierarchical Models for Quantitative Estimates for Performance metrics applied to Saddle Search Algorithms Paper • 2505.13621 • Published May 19, 2025 • 2
Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions Paper • 2505.12519 • Published May 18, 2025 • 7
Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions Paper • 2505.12519 • Published May 18, 2025 • 7
Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions Paper • 2505.12519 • Published May 18, 2025 • 7
Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions Paper • 2505.12519 • Published May 18, 2025 • 7
Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions Paper • 2505.12519 • Published May 18, 2025 • 7
Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions Paper • 2505.12519 • Published May 18, 2025 • 7
rsx: A high-performance streaming toolkit for RAD-seq sex determination Paper • 2606.06434 • Published Aug 3 • 1
A Tutorial Review of Bayesian Optimization with Gaussian Processes to Accelerate Stationary Point Searches Paper • 2603.10992 • Published Apr 28
Enhanced Climbing Image Nudged Elastic Band method with Hessian Eigenmode Alignment Paper • 2601.12630 • Published Apr 7 • 1
Enhanced Climbing Image Nudged Elastic Band method with Hessian Eigenmode Alignment Paper • 2601.12630 • Published Apr 7 • 1
Enhanced Climbing Image Nudged Elastic Band method with Hessian Eigenmode Alignment Paper • 2601.12630 • Published Apr 7 • 1 • 1
Bayesian Hierarchical Models for Quantitative Estimates for Performance metrics applied to Saddle Search Algorithms Paper • 2505.13621 • Published May 19, 2025 • 2
Compositional Analysis of Fragrance Accords Using Femtosecond Thermal Lens Spectroscopy Paper • 2503.20431 • Published Mar 26, 2025 • 2
Unified Software Design Patterns for Simulated Annealing Paper • 2302.02811 • Published Feb 6, 2023 • 1
Diffusion of self-propelled Janus tracer in polymeric environment Paper • 1704.06207 • Published Apr 20, 2017 • 1
Metatensor and metatomic: foundational libraries for interoperable atomistic machine learning Paper • 2508.15704 • Published Aug 21, 2025 • 1
d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations Paper • 1909.09830 • Published Sep 21, 2019 • 1