// computational scientist · applied mathematician · open to work

Anikeya Aditya

Ph.D. Materials Science · M.S. Computer Science · I translate complex physical and mathematical systems into high-performance, reproducible code. Based in Mons, Belgium.

⬤ Open to Work Scientific Computing Applied Mathematics HPC / Machine Learning 100% Remote · Belgium 5 Publications
View Projects → Get In Touch GitHub

01 / about

Who I Am

I am a Computational Scientist and Applied Mathematician. I understand the underlying mathematics behind the code: differential equations, numerical integration, Bayesian inference, and the physical models that give the numbers meaning. My Ph.D. in Materials Science and M.S. in Computer Science from USC gave me a rare combination of deep physics intuition and modern software engineering practice.

My career has been built around one idea: translating complex physical and mathematical systems into high-performance, reproducible code. I have trained neural network interatomic potentials, run billion-atom molecular dynamics simulations on HPC clusters and wrote post-processing code to analyse it, built computer vision pipelines for real-time tracking.

I am currently based in Mons, Belgium. I am looking for a remote-friendly role where I can do genuinely interesting technical work in a calm, sustainable environment.

I hold a Belgian Residence Permit with unlimited labour market access — no visa sponsorship needed, eligible for Belgian CDI employment contracts.

5
peer-reviewed publications
1B+
data points processed
6
years research experience
5
degrees across physics, maths & CS

02 / education

Education

Ph.D.
Materials Science
University of Southern California
Aug 2019 – Dec 2025
M.S.
Computer Science
University of Southern California
May 2023 – May 2025
M.S.
Materials Engineering
University of Southern California
Aug 2019 – May 2025
awarded concurrently with Ph.D.
⭐ Two Honours Degrees · Completed Simultaneously · 4 Years
B.S. Physics Highest Honors
Thesis: Inferring the Mass Function of Primordial Black Holes from Gravitational Wave Observations
UC Santa Cruz
B.A. Mathematics Honors
Double degree — completed in parallel with the Physics degree
UC Santa Cruz
Sept 2014 – June 2018  ·  Koret Undergraduate Research Scholarship  ·  Dean's Scholarship  ·  Chancellor's Internship Program

03 / skills

Technical Stack

Machine Learning & AI
PyTorch TensorFlow YOLOv8 LSTM GNNs NequIP / Allegro Bayesian Inference
Programming
Python C++ (learning) Shell Scripting Mathematica LaTeX
Data & Analytics
NumPy Pandas SciPy Matplotlib Plotly Seaborn Numba
HPC & Infrastructure
Linux SLURM Parallel Computing Multiprocessing CUDA (learning) Git Automated Pipelines
Scientific Computing
LAMMPS VASP Quantum ESPRESSO Molecular Dynamics DFT ASE
Applied Mathematics
Differential Equations Numerical Integration Statistical Modeling Bayesian Inference Quantitative Analysis Deep Learning Theory

04 / projects

GitHub Projects

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05 / publications

Research Publications

━ first author   ━ co-author
Emerging Ferroelectric Domains: Stacking and Rotational Landscape of MoS₂ Moiré Bilayers
Aditya A., Irie A., Dasgupta N., et al. — ACS Nano (In Press, 2026)
first author ACS Nano
Wrinkles, Ridges, Miura-Ori, and Moiré Patterns in MoSe₂ Using Neural Networks
Aditya A., Mishra A., Baradwaj N., et al. — J. Physical Chemistry Letters (2023)
first author JPCL
doi:10.1021/acs.jpclett.2c03539 →
Thermoelectric Grain Boundary in Monolayer MoS₂
Irie A., Aditya A., Nomura K., et al. — J. Physical Chemistry C (2024)
JPCC
doi:10.1021/acs.jpcc.4c04339 →
Tailoring the Angular Mismatch in MoS₂ Homobilayers through Deformation Fields
Burns K., Tan A.M.Z., Hachtel J.A., Aditya A., et al. — Small (2023)
Small
doi:10.1002/smll.202300098 →
Exploring Far-from-Equilibrium Ultrafast Polarization Control in Ferroelectric Oxides with Excited-State Neural Network Quantum Molecular Dynamics
Linker T., Nomura K., Aditya A., et al. — Science Advances (2022)
Science Advances
doi:10.1126/sciadv.abk2625 →
Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics
Rajak P., Aditya A., Fukushima S., et al. — IEEE IPDPSW (2021)
conference IEEE
doi:10.1109/ipdpsw52791.2021.00145 →
Google Scholar →

06 / experience

Work & Research

Aug 2024 – Dec 2024
Team Lead, ML & Computer Vision
Soccer Analytics Project — USC
  • Led 3-member team to build end-to-end CV pipeline for broadcast video data
  • Engineered YOLOv8 object detection to track players, referees, and ball
  • Integrated LSTM-based neural network for trajectory prediction under occlusion
github.com/anikeya9/bts-soccer-vision →
Aug 2019 – Dec 2025
Computational Data Scientist (Ph.D. Researcher)
University of Southern California
  • Developed and trained GNNs and ML surrogate models (NequIP/Allegro) to accelerate complex simulations
  • Architected scalable automated data pipelines using Python, NumPy, and SLURM on HPC clusters
  • Scaled parallel computing workflows to process datasets exceeding 1 billion data points
  • First-author publication in ACS Nano; co-author on 5 additional publications
github.com/anikeya9/stacking-analysis →
Aug 2018 – Present
Scientific Software Developer
Various Projects & UC Santa Cruz
  • Built reproducible software platform for structural generation and data modeling
  • Optimized execution speed via vectorized geometry operations and parallel processing (Numba, multiprocessing)
  • Contributed to open-source peer-reviewed software repository (Ping Group, UCSC)
github.com/anikeya9/Multi-Layer-Moire-MLM- →
2019 – 2025
Graduate Teaching Assistant
University of Southern California
  • Deep Learning (MASC-520): led tutorials on practical DL applications in materials science
  • Physics Laboratory (135-A, 152-A): conducted and coordinated multiple lab sections

07 / human

Beyond the Code

A PhD in computational physics doesn't mean I live in a terminal. Here's what actually keeps my brain alive outside of work.

⚔️
Total War Veteran
Rome: Total War and Attila are my comfort games. Years of campaign strategy — I think in supply lines and force compositions. There's a reason I like optimization problems.
🎮
Gaming
From the open worlds of Far Cry 3–6 to the magic of Hogwarts Legacy to the pitch of Pro Evolution Soccer — games are where I decompress and find good design.
✏️
Art & Sketching
Back in my undergrad days I drew and sketched regularly. A reminder that the same spatial intuition behind physics visualizations can find expression on paper.
🌍
Languages
English & Hindi (native), French (learning — living in Wallonia will do that), Japanese (elementary). Communication across cultures matters.

08 / looking for

Target Roles

I am targeting roles that sit at the intersection of applied mathematics, physical modelling, and software engineering — places where a computational scientist with strong maths foundations is genuinely more useful than a generic CS graduate.

Scientific Computing & Research
Computational Scientist Research Software Engineer (RSE) Numerical Software Engineer HPC Systems / Admin Materials Informatics Scientist
Applied Modelling & Digital Twin
Digital Twin Engineer Environmental / Climate Modeller Algorithm Engineer Simulation Engineer
Quantitative & Data
Quantitative Risk Modeller Data Steward Data Scientist (R&D) Statistical Modeller
Life Sciences & Pharma
Pharmacometrician Computational Biologist Scientific Software Developer (Pharma)

preferred setup

100% remote (EU) or hybrid accessible from Mons · Stable CDI or EOR contract · Asynchronous-friendly culture · Public sector, universities, research institutes, or established corporations welcome.

09 / contact

Get In Touch

If you are hiring for a role that involves serious mathematics, physical modelling, scientific computing, or data engineering — and you value people who understand the theory behind their tools — I would be happy to hear from you.

email anikeya9@gmail.com linkedin linkedin.com/in/anikeya-aditya github github.com/anikeya9 scholar Google Scholar researchgate ResearchGate

Download CV

Two versions depending on what you're looking for.

Industry CV (3 page) ↓ Academic CV (full) ↓

Location: Mons, Belgium
Work auth: Belgian Residence Permit (unlimited)