Yuheng Wu

Education

2020 - 2024 Bachelor of Science, University of Science and Technology of China, Physical Chemistry (Major), Computer Science (Minor). Prof. Jie Zeng | Zeng Group (ustc.edu).

2023 Visiting Undergraduate, Harvard University. Prof. Michael Aziz | Aziz Group (harvard.edu).

2024 Visiting Undergraduate, Rice University. Prof. Haotian Wang | The “CAT” Group (rice.edu).

2024 - ? Ph.D, Massachusetts Institute of Technology (MIT), Department of Material Science and Engineering (DMSE). Prof. Adam Willard | Willard Group (mit.edu) & Prof. Iwnetim Abate | Abate Group (mit.edu).

Research

Stochastic Calculus and Non-equilibrium Thermodynamics

Thermodynamics phenomena derives in fluctuation, and fluctuation comes from uncertainty. Traditional mechanical system, such as those in classical mechanics and electrodynamics, is deterministic, therefore, no thermodynamics behavior would occur. However, with the knowledge of stochastic calculus, we are able to add white noise to the equation of motions of our particle system, e.g. three-body system, so that fluctuations and uncertainty will be turned on, and we can statistically evaluate them and connect them with thermodynamic properties, e.g. temperature, pressure. My goal is to explore the possibility of generating theomodynamic behavior in a small-sized many-body system (without the assumption of the number of particles in the system is infinitely large).

Quantum Statistical Mechanics

Quantum mechanics is a consequence of duality. In the 18th century, people used to believe that the motions of particles should be described by ordinary differential equations/systems (ODEs), whereas wave propagation should be described by partial differential equations (PDEs).

The study of ODEs dates back to Isaac Newton and Gottfried Wilhelm Leibniz, who developed calculus in the late 17th century. The term “differential equations” was first proposed in 1676 by G. Leibniz. These equations were initially used in the context of certain problems in mechanics and geometry. Leonhard Euler later formalized many techniques for solving ODEs, making significant contributions to their theory.

The study of partial differential equations started in the 18th century in the work of Euler, d’Alembert, Lagrange, and Laplace as a central tool in the description of mechanics of continua and more generally, as the principal mode of analytical study of models in the physical science. Using Newton’s recently formulated laws of motion, Brook Taylor (1685–1721) discovered the wave equation by means of physical insight alone. In 1746, d’Alembert discovered the one-dimensional wave equation, and within ten years Euler discovered the three-dimensional wave equation. The foundations of PDEs were laid by Joseph Fourier, who introduced Fourier series to solve heat conduction problems. Jean-Baptiste Joseph Fourier, Pierre-Simon Laplace, and Simeon Denis Poisson further advanced PDE theory, particularly in physics and engineering applications.

Before 20th century, people used to believe that the properties of particle and wave are contradictory to one another. It was until Erwin Schrödinger developed the wave equation in 1926, combining Louis de Broglie’s idea that particles could behave like waves with the classical energy conservation equation, when people began to realize the dualilty relation between wave and particle.

The idea of using PDEs to depict the equation of motion of particle natually introduce statistics into mechanics, since all of the observables of the system now becomes uncertain, and therefore, in fluctuation. The underlying relation between quantum mechanics and the origin of statistical mechanics has not yet been well-understood. My goal is to develop new theories with novel math tools, e.g. differential analysis, stochastic analysis to axiomatize the principle of statistical mechanics.

Chemical Engineering

Electrochemistry

Electrochemistry is the study of chemical processes where mass transfer and electron transfer take place separately. The core principle revolves around redox (reduction-oxidation) reactions, where chemical energy is transformed into electrical energy or vice versa. This concept plays a crucial role in various energy technologies, and is central to sustainability, enabling efficient energy storage and clean power generation for a greener future.

My previous research mainly focused on electrocatalysis, electrochemical $\mathrm{CO_2}$ Capture, and flow battery.

Thermal Catalysis

Thermocatalysis plays a crucial role in petrochemistry by enabling efficient transformation of crude oil and natural gas into valuable fuels and chemicals. In petroleum refining, thermocatalysis is used in catalytic cracking and reforming processes to break down heavy hydrocarbons into lighter, more useful products like gasoline and diesel. Additionally, thermocatalytic reactions help optimize energy efficiency in the conversion of raw materials into petrochemical derivatives, including plastics, synthetic fibers, and industrial solvents. Emerging innovations in thermocatalysis are also improving environmental sustainability, such as using advanced catalysts to reduce emissions and enhance fuel quality. By refining petrochemical processes, thermocatalysis supports global energy needs while paving the way for cleaner production methods.

I used to be working on developing high performance catalysts for important thermocatalytic reaction, e.g. Fisher-Tropsch reaction, Habor-Bosch process, $\mathrm{CO_2}$ hydrogenation and selective $\mathrm{CH_4}$ oxidation. Right now, I’m working on utilizing theomocatalysis together with in-situ characterization techniques and micro-CT, to investigate the extraction of petroleum chemistry product from $\mathrm{Fe^{2+}-}$rich minerals.

Organic Synthesis

Organic synthesis is fundamental to medicine, enabling the creation of complex molecules essential for pharmaceuticals and therapeutic agents. Through advanced synthetic techniques, chemists design and produce drugs with precise chemical structures, improving effectiveness and safety. Many life-saving medications, including antibiotics, antivirals, and cancer treatments, rely on organic synthesis to optimize their bioavailability and stability. Additionally, this field contributes to developing innovative drug delivery systems and targeted therapies that enhance patient outcomes. As research progresses, organic synthesis continues to shape modern medicine by providing new solutions for disease treatment and prevention.

My previous research was methodologydevelopment for asymmetric organic catalysis.

Computational Chemistry

Computational chemistry has transformed how scientists study chemical systems, enabling precise modeling and prediction of molecular behavior. By leveraging advanced algorithms and powerful computing, researchers can simulate reactions, optimize molecular structures, and analyze properties with exceptional accuracy. This field has progressed significantly with developments in quantum mechanics, molecular dynamics, and machine learning, allowing for deeper insights into complex biological and chemical interactions. The importance of computational chemistry extends across various domains, including drug discovery, materials science, and environmental research, where it accelerates innovation while reducing the need for costly and time-consuming experimental trials. As computing power continues to advance, computational chemistry is set to drive groundbreaking discoveries and refine our understanding of molecular science.

I possess a combination of skills in computational chemistry, with a proficient mastery of density functional theory (DFT), molecular dynamics (MD), and finite element analysis (FEA) simulations, and hope to develop more powerful computation tools based on quantum mechanics and statistical mechanics theories.

Table Tennis

MIT - TABLE TENNIS CLUB

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