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Olivier Delaire

Associate Professor of the Thomas Lord Department of Mechanical Engineering and Materials Science
Thomas Lord Department of Mechanical Engineering and Materials Science
387 Gross Hall, Durham, NC 27708
144 Hudson Hall, Box 90300, Durham, NC 27708

Overview


The Delaire group investigates atomistic transport processes of energy and charge, and thermodynamics in energy materials. We use a combined experimental and computational approach to understand and control microscopic energy transport for the design of next-generation materials, in particular for sustainable energy applications. Current materials of interest include superionic conductors, photovoltaics, thermoelectrics, ferroelectrics/multiferroics, and metal-insulator transitions. Our group's studies provide fundamental insights into  atomic dynamics and elementary excitations in condensed-matter systems (phonons, electrons, spins), their couplings and their effects on macroscopic properties. We probe the microscopic underpinnings of transport and thermodynamics properties by integrating neutron and x-ray scattering, optical spectroscopy, and thermal characterization, together with quantum-mechanical computer simulations.

Current Appointments & Affiliations


Associate Professor of the Thomas Lord Department of Mechanical Engineering and Materials Science · 2019 - Present Thomas Lord Department of Mechanical Engineering and Materials Science, Pratt School of Engineering
Associate Professor in Physics · 2016 - Present Physics, Trinity College of Arts & Sciences
Associate Professor of Chemistry · 2019 - Present Chemistry, Trinity College of Arts & Sciences
Associate Professor of Physics · 2023 - Present Physics, Trinity College of Arts & Sciences

In the News


Published February 27, 2025
How Sodium-ion Will Fuel Batteries of the Future
Published January 13, 2022
Molecular Paddlewheels Propel Sodium Ions Through Next-Generation Batteries
Published March 15, 2021
Twisting, Flexible Crystals Key to Solar Energy Production

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Recent Publications


Atomic dynamics in across magnetic and superionic transitions

Journal Article Physical Review Materials · March 17, 2025 Full text Cite

Enhancing robustness in machine-learning-accelerated molecular dynamics: A multi-model nonparametric probabilistic approach

Journal Article Mechanics of Materials · March 1, 2025 In this work, we present a system-agnostic probabilistic framework to quantify model-form uncertainties in molecular dynamics (MD) simulations based on machine-learned (ML) interatomic potentials. Such uncertainties arise from the design and selection of M ... Full text Cite

Ionic conduction and interfacial stability in Na1+xZr2SixP3xO12 solid electrolytes: Past, present, and future perspectives

Journal Article Applied Physics Reviews · March 1, 2025 While the development of new solid electrolytes (SEs) is crucial for advancing energy storage technologies, revisiting existing materials with significantly improved knowledge of their physical properties and synthesis control offers significant op ... Full text Cite
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Education, Training & Certifications


California Institute of Technology · 2006 Ph.D.
Pennsylvania State University · 2000 M.Sc.