Talks

Invited Talks and Workshops

CECAM-LTS-MAP: Long time multi-scale simulations of activated events, SISSA Trieste, June 2024. Invited speaker and eOn v2 tutorial presenter.
CECAM-ESL: Advancing the Modular Paradigm, EPFL Lausanne, February 2024. Invited speaker on scaling workflows from development to HPC.
CECAM-ESL: Electronic Structure Software Development, EPFL Lausanne, October 2022. Invited panelist representing NumPy for FOSS best practices.
Les Houches Physics School, France, August-September 2021. Student talk on programming languages and elementary functions. Supplement
IOP Conference for Astronomy and Physics Students, June 2021. Invited instructor on web development for physicists.
IPAM Long Program: Tensor Methods, UCLA, March-May 2021. IPAM Fellow.

Managing concurrency for high throughput adaptive kinetic monte carlo, ACS Fall 2025
Advocating for standardized APIs for common procedures, Psi-k 2025 (with M. Gunde)
Towards a million atoms and a thousand KMC steps a day, Kernel aKMC Conference 2025
Low Data Saddle Search Acceleration with Bayesian Performance Analysis, ML in Chemical and Materials Sciences 2025
Contending with concurrency across programming languages, APS Global Physics Summit 2025

Modeling material-dependent thermal beam profiles in fiber optics, ACS Fall 2024
Accelerating Saddle Searches with Gaussian Process Regression, CECAM-LTS-MAP
Throwaway Gaussian Processes for Saddle Searches, ML in Chemical and Materials Sciences 2024
PySEAMS: Pythonic Structural Elucidation Analysis, APS April Meeting 2024
Revisiting Scaling Assumptions of Ab-Initio Calculations, APS March Meeting 2024
Scaling workflows from development to HPC, 14th Icelandic HPC Community Workshop
Development, Benchmarks and Workflows, CECAM-ESL

Computational Chemistry and Possible Tensor Applications, IPAM TMRC2 Reunion
High-order finite element method for atomic structure calculations, APS April Meeting 2023
Enhancing slideware for computational physics education, APS March Meeting 2023
Intermediate Representations for Quantum Computing, APS March Meeting 2023

Reproducible engines and interfaces on heterogeneous compute resources, APS Mid-Atlantic 2022
High Throughput Reproducible Literate Phylogenetic Analysis, IEEE PDGC-2022
Reproducible HPC Without Redundancy with Nix, IEEE PDGC-2022
Reproducible Environments on Elja with Nix and Spack, 6th Icelandic HPC Workshop
Maintaining Fortran in Python in Perpetuity, SciPyCon 2022. Supplement

Nix from the dark ages (without Root), NixCon 2020. Lightning talk. Supplement
Reproducible Scalable Workflows with Nix, Papermill and Renku, PyCon India 2020. Supplement
Reproducible Environments with the Nix Packaging System, CarpentryCon 2020

Quantum Distributed Computing with Shaped Laser Pulses, Photonics 2016. Springer Best Student Paper Award.

Inferring Multicomponent Properties Through Thermal Lens, APS April 2024
Simulated Annealing for Global Search, APS March 2024
Towards Modular Components for Phylogenetic Estimation, APS March 2023
Wailord: Parsers and Reproducibility for Quantum Chemistry, SciPyCon 2022
LPython: Interactive LLVM-based Python Compiler, SciPyCon 2022 (with O. Certik et al.)
Ultrafast Insights for Predictive Fragrance Compounding, ACS Spring 2020
Qubit Network Barriers to Deep Learning, IEEE WRAP-2019
Space Filling Curves for Semi Classical Lasing, URSI AP-RASC 2019
FDTD Numerical Computations for Ultrafast Non-linear Optics, Photonics 2018