Using Molecular Dynamics Simulations to Study Macromolecular (Polymer) Systems for Bioengineering and Energy Applications
Project Description
This project aims to utilize molecular dynamics (MD) simulations to investigate various macromolecular (polymer) systems with a focus on their applications in bioengineering and energy. The project will be divided into three key directions:
1. Biopolymer Systems: This direction will explore MD simulation of biopolymers such as proteins, RNA, and DNA. Students will simulate their structure, dynamics, and interactions to understand their roles in biological processes and their potential applications in biotechnological innovations, such as drug design/delivery and materials engineering.
2. Ionic Polymer Systems for Energy Applications: This component will focus on ionic polymers and their interactions with ions and solvents. The objective is to study how these polymers can be designed for use in energy storage systems, such as batteries and supercapacitors, to enhance ion conductivity and overall performance.
3. Polymer Assembly and Polymer Physics: This direction will investigate the self-assembly processes of polymers and the physical principles governing their behavior. Students will simulate polymer self-assembly and study and structure-property relationship, which are crucial our fundamental understanding and applications in materials science and biology.
Through these three directions, the project aims to provide a comprehensive understanding of polymer systems and their potential for advancements in bioengineering and energy technologies.
1. Biopolymer Systems: This direction will explore MD simulation of biopolymers such as proteins, RNA, and DNA. Students will simulate their structure, dynamics, and interactions to understand their roles in biological processes and their potential applications in biotechnological innovations, such as drug design/delivery and materials engineering.
2. Ionic Polymer Systems for Energy Applications: This component will focus on ionic polymers and their interactions with ions and solvents. The objective is to study how these polymers can be designed for use in energy storage systems, such as batteries and supercapacitors, to enhance ion conductivity and overall performance.
3. Polymer Assembly and Polymer Physics: This direction will investigate the self-assembly processes of polymers and the physical principles governing their behavior. Students will simulate polymer self-assembly and study and structure-property relationship, which are crucial our fundamental understanding and applications in materials science and biology.
Through these three directions, the project aims to provide a comprehensive understanding of polymer systems and their potential for advancements in bioengineering and energy technologies.
Supervisor
CHEN, Shensheng
Quota
2
Course type
UROP1000
UROP1100
UROP2100
UROP3100
UROP4100
Applicant's Roles
The applicant will assist in setting up and executing MD simulations in one of the three directions. They will analyze simulation data to evaluate the properties and behaviors of the different polymer systems. The applicant will also engage in literature reviews to gather relevant background information for each direction. Additionally, they may contribute to the preparation of reports and presentations, and even papers to communicate findings to the research team.
Applicant's Learning Objectives
1. Gain practical experience with MD simulation software and computational modeling techniques applied to diverse polymer systems.
2. Understand the fundamental principles of biopolymer science, ionic polymer interactions, and polymer physics in the context of bioengineering and energy applications.
3. Develop analytical skills for interpreting simulation data and understanding material properties specific to each research direction.
4. Enhance research capabilities through literature reviews and synthesis of information related to biopolymers, ionic polymers, and polymer assembly in energy systems.
5. Improve communication skills by effectively presenting research findings to peers and faculty.
6. Cultivate critical thinking and problem-solving skills through experimental design and analysis of simulation outcomes relevant to bioengineering and energy innovations.
2. Understand the fundamental principles of biopolymer science, ionic polymer interactions, and polymer physics in the context of bioengineering and energy applications.
3. Develop analytical skills for interpreting simulation data and understanding material properties specific to each research direction.
4. Enhance research capabilities through literature reviews and synthesis of information related to biopolymers, ionic polymers, and polymer assembly in energy systems.
5. Improve communication skills by effectively presenting research findings to peers and faculty.
6. Cultivate critical thinking and problem-solving skills through experimental design and analysis of simulation outcomes relevant to bioengineering and energy innovations.
Complexity of the project
Moderate