Ruiyan Wang

rywang42 at outlook dot com OR rywang42 at stanford dot edu • https://rywang42.github.io/


Education

Stanford University Stanford, CA, USA

PhD in Theoretical Chemistry (Sept 2023 – Present)

  • GPA: 4.075
  • Coursework: computational chemistry basics (CHEM261), machine learning (CHEM263), statistical inference (STATS200), parallel computing (CME/EE213), linear dynamical systems (CME/EE263), convex optimization (CME/EE364a)

University of Cambridge, Trinity College Cambridge, UK

Class I, BA Degree (Hons 3 yrs), Natural Sciences Tripos (Chemistry) (Oct 2020 – June 2023)

  • Part II (year 3): Chemistry (ranked 2/111 in the cohort)
  • Part IB (year 2): Chemistry A, Chemistry B, Pharmacology (ranked 10/575 in the cohort)
  • Part IA (year 1): Maths B, Physics, Chemistry, Materials Science (ranked 10/627 in the cohort)
  • Elected to Junior (2021) and Senior (2022) Scholarship at Trinity College
  • Received the examination prize from Yusuf Hamied Department of Chemistry for three years


Research Experience

Stanford University Stanford, CA, USA

Graduate Research Assistant (February 2024 – Present) Advisor: Professor Todd J. Martínez

  • GPU-native DF-CASSCF (TeraChem) — designed and implemented density-fitting ERI construction and GPU kernels (McMurchie–Davidson integrals, 2/3-center routines). Focuses include integral recasting as BLAS-friendly tensor contractions, memory-hierarchy optimizations, and Nsight-driven bottleneck elimination.
  • Mixed-precision strategies & kernel engineering — performed experiments with TF32/FP16 emulation and precision-binning of integrals to trade accuracy and throughput on AI-optimized tensor units.
  • Sparsity-aware THC research — prototyped Tensor Hyper-Contraction for multireference methods.
  • Nanoreactor / AI + simulation integration — benchmarked DFT vs ML interatomic potentials and developed automated reaction-cycle detection and manifold-learning analyses.
  • Software engineering & tooling — refactored and modularized TeraChem components (C/C++), maintained and upgraded the Nanoreactor codebase (Python), added testing/CI-friendly interfaces, and profiled/optimized kernels for multi-GPU workflows.

Graduate Teaching Assistant (September 2023 – June 2024) General chemistry (CHEM31M, Fall 2023) and organic chemistry (CHEM33, Winter & Spring 2024)

Knowles Lab & Klenerman Lab, Yusuf Hamied Department of Chemistry Cambridge, UK

Summer Research Student (July 2023 – August 2023)

  • Exploratory investigation of pathological protein aggregation patterns on brain images using image processing, modeling, and visualization tools (e.g., scikit-image, lmfit, streamlit)
  • Contributed to the publication: Tau accumulation patterns in PSP constrain mechanisms and quantify cell-to-cell and cell-autonomous aggregation rates. medRxiv (2024)

Blouet Lab, Wellcome-MRC Institute of Metabolic Science Cambridge, UK

Summer Research Student, Amgen Scholar (June 2022 – Sept 2022)

  • Conducted immunohistochemistry assays, cryosectioning using microtome, confocal microscopy, and image analysis with ImageJ
  • Funded by the Amgen Foundation through the Amgen Scholars Program
  • Contributed to the publication: Cav3.1 is a leucine sensor in POMC neurons mediating appetite suppression and weight loss. bioRxiv (2024)


Poster Presentations

American Conference on Theoretical Chemistry (ACTC) Chapel Hill, NC (June 2024)

West Coast Theoretical Chemistry (WCTC) Merced, CA (May 2024)

More efficient ab initio methods: GPU-accelerated density fitting and functionals support from libxc DFT functional library

Amgen Scholar Annual Symposium (European) Cambridge, UK (Sept 2022)

Characterisation of the role Cav3.1 T-type calcium channel in leucine sensing in the mediobasal hypothalamus with immunofluorescence


Skills

Intermediate Knowledge: Python, C++ (CUDA), Julia, LaTeX, MS Office Suite, Adobe Photoshop, Blender

Basic Knowledge: MATLAB, MySQL, HTML, CSS, ImageJ, Adobe InDesign, Adobe Illustrator

Computational chemistry packages: Gaussian, TeraChem, Q-Chem, pyscf, psi4, VMD, Avogadro

Natural languages: English (Fluent), Chinese Mandarin (Native), French (Basic)

Interests and Hobbies: Painting, 3D Modelling, Calligraphy, Photography, Reading