ruihao99 / brh-cv

My personal cv

Ruihao Bi

Current affiliations:

PhD. Student @ Wenjie, Dou Group School of Science, Westlake University, Zhejiang, P.R.China.

Previous affiliations:

Research assitant @ Jun, Cheng Group Department of Chemistry, Xiamen University, Fujian, P.R.China.

Undergraduate project @ Yandong, Zhang Group Department of Chemistry, Xiamen University, Fujian, P.R.China.

Eamils:

Email: [email protected] or [email protected]

Publications:

• Yan Sun, Cheng-Rong Wu, Feng Wang, Rui-Hao Bi, Yong-Bin Zhuang, Shuai Liu, Ming-Shu Chen, Kelvin H-L Zhang, Jia-Wei Yan, Bing-Wei Mao, Zhong-Qun Tian, Jun Cheng. Step-induced double-row pattern of interfacial water on rutile TiO2 (110) at electrochemical conditions. ChemRxiv. 2023 link

• Yong-Bin Zhuang, Rui-Hao Bi, and Jun Cheng. Resolving the odd–even oscillation of water dissociation at rutile TiO2 (110)–water interface by machine learning accelerated molecular dynamics. J. Chem. Phys. 2022 157, 164701 link

• Hao Cui, Yang Shen, Yanyu Chen, Ruifeng Wang, Haoxiang Wei, Pengfei Fu, Xin Lei, Haoxiang Wang, Ruihao Bi, and Yandong Zhang*. Two-Stage Syntheses of Clionastatins A and B. J. Am. Chem. Soc. 2022, 144, 20, 8938–8944. link

Education

Xiamen University (XMU)

• Research Assistant, Department of Chemistry, Jul. 2021 - Jun. 2022

• Bachelor of Chemistry, Sept. 2017 - Jun. 2021

  • Overall GPA: 3.79/4, major GPA: 3.85/4, ranked: 3/96;

  • Fluent English, TOEFL iBT: 103 (R30, L29, S21, W23), tested in Nov. 2021;

  • Relevant Coursework:

    Course	Description	Score
    Calculus	2-semester	(A+, A+)
    University Physics	2-semester	(A, B+)
    Organic Chemistry	2-semester	(A, A)
    Structural Chemistry	1-semester	(A)
    Physical Chemistry	2-semester	(A-, A+)
    Preliminary Statistical Thermodynamics	short-semester	(A)
    Chemical Kinetics and Reaction Dynamics	1-semester	(A+)

Academic Experience

Nuclear Quantum Effects in the Dynamics of Electron Transfer near Metal Surfaces

(Graduate Research)

Sept. 2022 - now

Supervisor: Prof. Wenjie Dou, Westlake University. Group Page

• Developing methods based on electronic friction to predict real time dynamics of electron transfers at meal surface, with special foucuses nuclear quantum effects.

• Theoretical prediction tunneling rates for electron transfer at metal surfaces using RPMD and ring polymer instanton techniques.

Study of thermodynamic stability of different surface hydroxyl terminations for SrFeO3-x

(Research assistant)

Feb. 2022 - May. 2022

Supervisor: Prof. Jun Cheng, XMU. Group Page

• Ab inito. electronic structure calculations (DFT) of bulk and surfaces SrFeO3-x. Study the formation energy of various defects.

Machine Learning Potential (MLP) of $\ce{TiO2}$ Water Interface Model and its Application

(Research assistant)

Jul. 2021 - Jun. 2022

Supervisor: Prof. Jun Cheng, XMU. Group Page

• Trained DeePMD mechine learning force field for TiO2-water interface geometries, We studied the following topics with such model:

• [1-11] step-edge induced water molecule dissociations; Chemical adsorption water display a double row pattern due to this stepped structure.

• The surface water dissociation degrees predicted by MD depends the size of TiO2 slab, precisely, the number of TiO2 tri-layers.

Research Towards Synthesis of Clionastatin B

(Undergraduate project)

Sept. 2019 - May. 2021

Supervisor: Prof. Yandong Zhang, XMU. Group Page

• Trained organic lab skills for natural product synthesis.

• Studied a conformation driven facial-selective epoxydation reaction.

• Researched dehydration reactions for a tertiary alcohol, which is sterically hindered and susceptible to cation rearrangement.

Professional Skills

Molecular simulation packages

• DeePMD-kit series: Training, configuration space exploration, dataset management.

• CP2K: Gamma point calculation, cell optimization, PDOS, and etc.

• LAMMPS: MLP molecular dynamics, radial distribution function (RDF) calculation, and etc.

Programming skills

• shell scripting: Simple automated workflow, text/data processing, and etc

• python scripting: Plotting data (matplotlib), fast MD trajecotry analysis (MDAnalysis), and etc.

• C/C++ and Cython: Writting intermediate level C-computation functions, which are interfaced with numpy using Cython.

Selected Awards

• The Wang Laoji Scholarship, XMU (2/96), Apr. 2021.

• Sucessful Participant of Mathematical Contest in Modelling, May 2020.

• The Elite Undergraduate Program of Chemistry Scholarship, XMU (15/168) , 2018-2021, 4 times.

• Scholarship of Academic Excellence, XMU (10/168), Jan.2018.