About

Grey Haven Solutions offers consulting and software development services for computational research. With peer reviewed papers across the fields of physics, materials engineering, and computer science, owner-operator Liam Huber brings nearly two decades of experience in computational science and research computing.

Services

• Research consulting – We offer consulting on computational science projects with a specialization in materials science and atomistic simulations. In 2018, Liam wrote the seminal paper on using machine-learned surrogate models for predicting solute-defect interaction energies in metals.
• Software development – Whether it’s developing a custom software tool or computational model to tackle your problem, or converting a student’s unreadable thesis code into a reusable library for future use by your entire lab, we can work with you to solve your computational and software needs.
• Training – Leverage over a decade of experience in speaking, teaching, and leading small development teams in a workshop for your team. Topics cover both hard and soft skills including: architecture patterns in python for research software, version control with git, best practices for asynchronous communication (i.e. how to write a good pull request, how to review your colleagues’ code, etc.), tools for distributing and sharing your code, and how to effectively present your code and results.

Recent

Liam is a core contributor to the pyiron project, and has an ongoing relationship with the Max-Planck-Institute für Eisenforschung to develop ironflow – a graphical interface for pyiron which provides a no-code/code-light interface to complex materials calculations in a click-to-connect graph based paradigm.

Grey Haven Solutions also recently received a 2022 NumFocus Small Development Grant to develop a system of ontological typing. By encoding workflows as a graph and defining ontological types for the data moving through these workflows, we can leverage ontological reasoning software to dynamically narrow types based on how data is used downstream or what the upstream requirements are in the workflow. This tool is available via Conda-Forge, and applications for guided workflow design can be seen in the ironflow project.

Contact

If you think Grey Haven Solutions may be of assistance to you, please write to info@greyhavensolutions.com to discuss your project!