32 citations · 36 across the 10 of their papers we have counts for
10 papers
Evaluating LLM-generated code for domain-specific languages: molecular dynamics with LAMMPS
Ethan Holbrook, Juan C. Verduzco, Alejandro Strachan
Large language models (LLMs) are changing the way researchers interact with code and data in scientific computing. While their ability to generate general-purpose code is well esta…
A collaborative digital twin built on FAIR data and compute infrastructure
Thomas M. Deucher, Juan C. Verduzco, Michael Titus +1
The integration of machine learning with automated experimentation in self-driving laboratories (SDL) offers a powerful approach to accelerate discovery and optimization tasks in s…
Accelerating active learning materials discovery with FAIR data and workflows: a case study for alloy melting temperatures
Mohnish Harwani, Juan C. Verduzco, Brian H. Lee +1
Active learning (AL) is a powerful sequential optimization approach that has shown great promise in the discovery of new materials. However, a major challenge remains the acquisiti…
GPT-4 as an interface between researchers and computational software: improving usability and reproducibility
Juan C. Verduzco, Ethan Holbrook, Alejandro Strachan
Large language models (LLMs) are playing an increasingly important role in science and engineering. For example, their ability to parse and understand human and computer languages…
nanoHUB services for FAIR simulations and data: ResultsDB and Sim2Ls
Daniel Mejia, Steven Clark, Juan Carlos Verduzco +4
nanoHUB is an open cyber platform for online simulation, data, and education that seeks to make scientific software and associated data widely available and useful. This paper desc…
Atomistic mechanisms underlying the maximum in diffusivity in doped LiLaZrO
Juan C. Verduzco, Ernesto E. Marinero, Alejandro Strachan
Doped lithium lanthanum zirconium oxide (LLZO) is a promising class of solid electrolytes for lithium-ion batteries due to their good electrochemical stability and compatibility wi…
Mapping microstructure to shock-induced temperature fields using deep learning
Chunyu Li, Juan Carlos Verduzco, Brian H. Lee +2
The response of materials to dynamical, or shock, loading is important to planetary science, aerospace engineering, and energetic materials. Thermal-activated processes, including…
Active learning and molecular dynamics simulations to find high melting temperature alloys
David E. Farache, Juan C. Verduzco, Zachary D. McClure +2
Active learning (AL) can drastically accelerate materials discovery; its power has been shown in various classes of materials and target properties. Prior efforts have used machine…
Ionic conductivity optimization of composite polymer electrolytes through filler particle chemical modification
Andres Villa, Juan Carlos Verduzco, Joseph A. Libera +1
The addition of filler particles to polymer electrolytes is known to increment their ionic conductivity (IC). A detailed understanding of how the interactions between the constitue…
From trivial to topological paramagnets: The case of and symmetries in two dimensions
Maxime Dupont, Snir Gazit, Thomas Scaffidi
Using quantum Monte Carlo simulations, we map out the phase diagram of Hamiltonians interpolating between trivial and non-trivial bosonic symmetry-protected topological phases, pro…