Photo illustration of circuitry and a human profile

Computation & Artificial Intelligence

Cutting across traditional discipline boundaries, our faculty have deep experience in developing methods of scientific computing. They also specialize in the application of computational approaches, including artificial intelligence, to a wide range of engineering challenges—from predictive modeling to new materials development to automation and controls.

Volker Blum with students and colleagues in computation lab

Research Areas

  • Computation and AI for materials discovery and design
  • Computational and AI for fluid and solid mechanics
  • Digital materials and manufacturing
  • Finite element methods
  • Molecular dynamics modeling
  • First-principles quantum materials simulation
  • Model predictive control
  • Nonlinear dynamics
  • Scientific computing

Major Centers & Initiatives

Externally funded research centers and laboratory groups working in this topic area include:

Related Study Opportunities

PhD

Specializations include:

Master of Science (MS) or Master of Engineering (MEng)

Concentrations include:

Highlights

More MEMS research news
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Writing New Recipes for High-Performance Materials

Duke materials scientists and engineers deploy AI and other digital tools to accelerate development of new materials to harvest energy, heal the body and more
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Strengthened by Chaos, New Super-Hard Materials Will Stir Steel Together

A US Department of Defense project led by Duke will create AI tools to design recipes for new materials tailored to super-hard, high-temperature applications
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Filling an AI and Materials Science Training Gap

Duke University awarded $3 million to develop a graduate training program at the nexus of artificial intelligence and materials science

Associated Faculty

Aquino

Wilkins Aquino

Professor in the Thomas Lord Department of Mechanical Engineering and Materials Science

Research Interests: Computational mechanics, finite element methods, computational inverse problems and their applications in engineering and biomedicine, scientific computing, computational acoustics and acoustics-structure interaction, coupled chemo-mechanics (e.g., electrochemistry-mechanics).

Arya

Gaurav Arya

Professor in the Thomas Lord Department of Mechanical Engineering and Materials Science

Research Interests: Molecular modeling, molecular simulations, statistical mechanics, coarse-graining, machine learning, polymer and colloidal physics, polymer-nanoparticle composites, chromatin biophysics, DNA nanotechnology, viral DNA packaging, single-molecule force spectroscopy, nanoscale…

Blum

Volker Blum

Associate Professor in the Department of Mechanical Engineering and Materials Science

Research Interests: Computational predictions and understanding of new materials related to energy and electronics, as well as molecular structure and spectroscopies, based on the "first principles" of quantum mechanics. Much of this work is directly connected to ongoing developments of new…

Bridgeman

Leila Bridgeman

Assistant Professor of Mechanical Engineering and Materials Science

Research Interests: Robust and optimal control, linear matrix inequalities (LMIs), model predictive control (MPC), delayed systems, input-output stability, passivity.

Brinson

L. Catherine Brinson

Sharon C. and Harold L. Yoh, III Distinguished Professor

Research Interests: Mechanics of materials, with emphasis on complex hierarchical materials and polymer based systems, and merging concepts of data science into materials. Nanoscale and bulk scale experimental characterization, modeling and simulation of the behavior of materials, including physics…

Curtarolo

Stefano Curtarolo

Edmund T. Pratt Jr. School Distinguished Professor of Mechanical Engineering and Materials Science

Research Interests: Artificial Intelligence Materials Science; Autonomous Materials Design; Computational materials science; High-Entropy Disordered Systems; Materials for Energy Applications; Materials for Aerospace Applications. Prof. Curtarolo multidisciplinary research makes use of state-of-the…

Delaire

Olivier Delaire

Associate Professor of Mechanical Engineering and Materials Science

Research Interests: Olivier Delaire investigates atomic dynamics in materials, focusing on problems at the interface of Materials Science, Physics and Chemistry. His research group utilizes a range of experimental and computational approaches, including neutron and x-ray scattering techniques,…

Dolbow

John Everett Dolbow

Professor in the Thomas Lord Department of Mechanical Engineering and Materials Science

Research Interests: Modeling quasi-static and dynamic fracture of structural components, the evolution of interfaces with nonlinear constitutive laws, and developing models for stimulus-responsive hydrogels

Dowell

Earl H. Dowell

William Holland Hall Distinguished Professor

Research Interests: Aeroelasticity, acoustics, nonlinear dynamics, structural dynamics, and unsteady aerodynamics.

Gall

Ken Gall

Professor in the Thomas Lord Department of Mechanical Engineering and Materials Science

Research Interests: Materials science, mechanical properties, metals and polymers. Specialties: Shape memory materials, biomaterials, 3D printing.

Geri

Michela Geri

Visiting Assistant Professor in the Thomas Lord Department of Mechanical Engineering and Materials Science

Research Interests: Mechanics of multi-phase materials - Soft and hard matter - Coupling of mechanics with thermodynamic, kinematic and chemical conditions - Particulate materials/structured fluids - Novel experimental methods - Theoretical Modeling

Guilleminot

Johann Guilleminot

Paul Ruffin Scarborough Associate Professor of Engineering

Research Interests: Computational mechanics, mechanics of heterogeneous materials, molecular dynamics simulations and atomistic-to-continuum coupling, stochastic solvers, statistical inverse problem and model validation, stochastic analysis, uncertainty quantification in science and engineering

Hall

Kenneth C. Hall

Julian Francis Abele Distinguished Professor

Research Interests: Unsteady aerodynamics, structural dynamics, and aeroelasticity of turbomachinery and aerospace vehicles. Novel approaches to modeling complex physical phenomena using computational fluid dynamics. Optimization and sensitivity analysis. Fluid dynamics of animal propulsion.

Howle

Laurens E. Howle

Professor in the Thomas Lord Department of Mechanical Engineering and Materials Science

Lipp

Genevieve Lipp

Assistant Professor of the Practice in the Department of Electrical and Computer Engineering

Ni

Xiaoyue Ni

Assistant Professor of Mechanical Engineering and Materials Science

Research Interests: Flexible electronics, precision measurement, non-destructive testing, deformation physics of random media, mechanical metamaterials, robotic materials and smart structures, machine learning

Randles

Amanda Randles

Alfred Winborne and Victoria Stover Mordecai Associate Professor of Biomedical Sciences

Research Interests: Biomedical simulation and high-performance computing

Rubinstein

Michael Rubinstein

Aleksandar S. Vesic Distinguished Professor

Research Interests: Polymer theory and computer simulations

Santillan

Sophia Santillan

Associate Professor of the Practice in the Thomas Lord Department of Mechanical Engineering and Materials Science

Research Interests: Engineering education, nonlinear systems, structural mechanics and numerical methods.

Scovazzi

Guglielmo Scovazzi

Professor in the Department of Civil and Environmental Engineering

Research Interests: Finite element methods, computational fluid and solid mechanics, multiphase porous media flows, computational methods for fluid and solid materials under extreme load conditions, turbulent flow computations, instability phenomena.

Witelski

Thomas P. Witelski

Professor in the Department of Mathematics