Minerals often form at different pressure, temperature, and chemical potential conditions from those at which they are found and processed.
Which are stable?
Which will transform?
What will they transform to?
How long will it take?
How much energy is required?
We explore two major themes
Mineral synthesis
goal: understand mineral formation mechanisms
application: predictive chemical prospecting
Minerals for synthesis
goal: predict transformation pathways from minerals to functional materials
application: separations-by-synthesis
Organisms utilize minerals as nutrients to fabricate bones, teeth, shells, sensors, and storage capsules. They use active transport, spending energy to separate valuable elements from waste. We emulate this natural strategy to actively separate critical elements using three distinct approaches
Brine mining
goal: selective separation of critical elements from brine resources
approach: opto-electrochemistry
Predictive demixing
goal: controlling liquid-liquid and liquid-solid separation far from equilibrium
approach: autonomous reactors with realtime feedback
Active control
goal: use charge, magnetism, light, electricity, and gravity to both sense and control separation processes
approach: hypermodal measurements with integrated AI decision making
One defining characteristic of life is the control over shape evolution, such as the growth of an embryo. Morphogenesis during the transformation of minerals can also be controlled to produce functional materials with properties that far exceed otherwise similar materials that aren't intelligently guided. We explore the dynamics of structure during transformations
Frozen reactions
goal: observe atomic arrangement of reactions in progress
approach: AI-accelerated algorithm development for phase contrast cryo electron tomography
Reaction dynamics
goal: observe the dynamics of far-from-equilibrium processes over a range of length and time scales
approach: apply x-ray and optical photon correlation spectroscopy to observe processes over 9 orders of magnitude in length and time
Complex matter cannot be described exactly by quantum theory because the relevant length and time scales are too large for the limited energy available to computers. An empirical approach, which nonetheless relies on the quantum interaction between electrons that gives rise to chemistry, may address the need for fast, complex chemical computation