I'm a research scientist completing a PhD in Computational Biophysics at the University of Oxford, which has focused on the development of a new computing architecture for molecular dynamics simulations.
I am particularly interested in high-level programming in Python for data science and machine learning, as well as low-level engineering with FPGAs, microcontrollers, and custom analog–digital circuits.
Feel free to reach out on Github or by email if you find any of these projects interesting or useful - I'd love to chat!
Analog Computing |
Molecular Dynamics |
FPGA Engineering |
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Circuit design and simulation of analog computing architectures, including complete libraries of mathematical operators, hybrid analog-digital systems, and novel approaches to computational analogue techniques. |
Custom simulation engines and force field development in Python and C, with emphasis on hardware-accelerated implementations and novel computing architectures for biomolecular systems. |
Digital design projects including floating-point arithmetic units, custom processing architectures, and synthesis-optimised implementations for Xilinx platforms. |
LTspice Circuit Design Analog Signal Processing
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GROMACS C Biophysics
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Vivado Verilog Digital Signal Processing
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Poker Engines |
PCBs & Microcontrollers |
Iris Validation |
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Probabilistic game theory implementations featuring Monte Carlo simulations, opponent modelling systems, and optimal strategy calculators for Texas Hold'em variants. |
Hardware design projects spanning multi-layer PCBs, embedded systems development, and integration of analog-digital hybrid architectures using RP2040, ESP32, and custom silicon. |
Interactive graphical validation toolkit for 3D macromolecular models, integrated into the CCP4i2 crystallography suite and used by structural biologists worldwide. |
NumPy Game Theory Monte Carlo
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KiCad RP2040 Embedded C
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Python JavaScript Structural Biology
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Languages
Data Science and ML
Electronic Engineering
Other
- Accelerating Simulations with Analogous Hardware: A Scalable Dataflow Architecture for High-Performance Molecular Dynamics (2022-2025)
- Development of quantum computing algorithms to explore cyclic peptides (2021)
- Computational validation of macromolecular structural models (2019-2020)
- Coarse-grained Monte Carlo simulations to probe confined protein diffusion in the Gram-negative bacterial outer membrane (2018-2019)
- Computational analysis of mechanical protein unfolding using atomic force microscopy data (2018-2019)
- Rochira, W. & Biggin, P.C. Unconventional computing for the acceleration of molecular simulations. (In preparation)
- Agirre et al. The CCP4 suite: integrative software for macromolecular crystallography. (2022)
- Rochira, W. & Agirre, J. Iris: interactive all-in-one graphical validation of 3D protein model iterations. (2020)
I'm currently open to freelancing opportunities or full-time positions, particularly in:
- Scientific computing
- Computational research
- Hardware-software co-design
- Data science & machine learning
I'd be delighted to discuss relevant opportunities or collaborations.