(4pl) Amro Dodin

The molecular processes at the forefront of chemical engineering are characterized by their sensitivity to their environments. Solvent fluctuations drive the interfacial chemistry that governs electrocatalysis and green chemistry, the performance of quantum devices hinges on our ability to isolate them from the influence of their environment, and the protein machinery of photosynthesis continuously adapts to changing light intensities. My research develops new theories and computational methods in statistical mechanics and quantum dynamics and applies them to learn about these processes from the molecular environments that drive them. These new insights can be applied to

1. 1. Optimize electrochemical, and green chemistry reactions by unlocking the catalytic potential of liquid interfaces,
2. 2. Design quantum computers and molecular machines that exceed classical limits without requiring extreme isolation from their environments, and
3. 3. Understand how plants achieve robust control of photosynthesis by combining noisy biomolecular components across length and time scales.

(1) Interfacial Electrochemistry & Aerosol Chemistry: Liquid interfaces are unique chemical environments, central in electrocatalysis, green chemistry, and atmospheric chemistry. While insight into reactions at solid surfaces has produced remarkable advances in heterogeneous catalysis, the fluctuations of interfacial liquids make them difficult to measure or simulate realistically, hampering our understanding of their chemical reactivity. My research will buid the new theories and computational methods required to describe reactions at liquid interfaces, enabling the optimization of their catalytic potential.

• • 1.A: Develop new neural network methods for previously intractable simulations of electrochemical reactions near electrodes.
• o Optimize catalysis of the CO₂ electroreduction and H₂O electrolysis reactions by tuning the liquid electrolyte composition and structure in addition to the solid electrode.
• • 1.B: Describe how interfacial solvation differs from bulk liquid, driving unique interfacial reactivity using new advances in liquid state theory.
• o Design mixtures of immiscible green solvents that can accelerate industrial synthesis of chemical products by using the liquid-liquid interface as an ‘on-water’ catalyst.
• o Explain how reactions at the surface of atmospheric aerosols contribute to environmentally important sulfur gas composition.

(2) Noisy Quantum Computers & Machines: Quantum devices rely on interference and entanglement to exceed classical limitations. These quantum phenomena are typically destroyed by noise from the environment, limiting the performance of quantum devices and preventing us from applying them in practical settings. However, recent theories allow us to characterize the statistical response of quantum devices to environmental noise and predict that in some cases, this same noise can generate quantum effects. My research will work towards unlocking the potential of quantum technology, by using these new theoretical insights to design and characterize quantum devices that can operate without extreme isolation from their surroundings.

• • 2.A: Design quantum molecular machines that exploit recently characterized noise-induced interference to exceed classical limits under realistic operating conditions.
• o Design quantum wires that reliably steer energy absorbed from sunlight to a desired target using pseudoisocyanine dyes attached to DNA origami scaffolds.
• o Show the first use of sunlight-generated interference to design quantum enhanced photoswitches using azobenzene, stilbene and retinal derived molecules.
• • 2.B: Derive thermodynamic bounds on the performance of quantum computers, similar to Carnot efficiency limits on heat engines, using new quantum trajectory ensemble theories.
• o Identify design principles for optimizing quantum computers that saturate these bounds, enabling the design of quantum computers robust to environmental noise.

(3) Regulating Photosynthesis: Photosynthetic organisms adapt to large changes in light intensity using molecular mechanisms across many length and times scales from electrons moving on the order of femtoseconds, to cellular processes that take hours or days. This molecular control system is remarkably robust despite the susceptibility of the biomolecules that comprise it to thermal noise. Understanding how nature achieves robust control through the multiscale interplay of noisy biomolecules will open the door to new bio-inspired controllers, detectors, and optoelectronics.

• • 3.A: Develop the first multiscale model of photosynthesis from quantum electronic dynamics to stochastic cellular processes.
• o Identify the key molecular interactions and emergent phenomena in photosynthetic regulation and use them to design new biomolecular sensors or bio-inspired optolectronics.
• • 3.B: Describe the thermodynamic principles governing the robust biological control of light harvesting by using new tools from non-equilibrium stochastic thermodynamics.
• o Design robust control networks from noisy components that apply the thermodynamic insight into biological control of photosynthesis.

Teaching Interests

The interdisciplinary nature of my research leaves me well equipped to teach a broad range of graduate and undergraduate courses including:

• • Thermodynamics
• • Statistical Mechanics
• • Quantum Mechanics
• • Mathematical Methods in Chemistry and Engineering
• • Molecular Simulations

In particular, I have developed syllabi and teaching materials for two courses. First, I developed a modern introductory undergraduate course on quantum mechanics while completing MIT’s Kaufman Teaching Certificate Program. Second, I have developed an intensive graduate course teaching statistical mechanics through molecular simulations during my postdoctoral research. I have had the opportunity to teach and refine the materials for this course while mentoring undergraduate students, graduate students and junior postdoctoral researchers.

I have demonstrated a strong track record of teaching and mentorship excellence throughout my academic career. My formal classroom teaching has been recognized with an MIT Department of Chemistry Graduate Teaching Excellence Award while my mentorship as a Postdoc has earned me a Lawrence Berkeley National Lab Spot Award for Mentorship.