Biography
I’m a Scientific Consultant based in Berlin, contributing to the advancement of quantum algorithms at Kipu Quantum. My focus lies at the intersection of quantum chemistry and machine learning.
I completed my PhD in Physics at the University of York (UK) which focused on the fundamentals of many-electron physics in matter, specifically, investigating the exact functionals of time-dependent density-functional theory. Before joining Kipu, I spent three years as a Postdoctoral Scientist in Prof. Frank Noé’s AI4Science Group at Freie Universität Berlin. My research focused on the development of machine learning techniques for electronic structure theory and materials science computations.
- Quantum Mechanics
- Machine Learning
- Quantum Computing
- Computational Physics
- Quantum Chemistry
- Electronic Structure Theory
PhD in Physics, 2020
University of York
BSc (Hons) in Theoretical Physics, 2015
University of York
Experience
Kipu Quantum is a quantum computing startup dedicated to developing application- and hardware-specific quantum algorithms to address real-world industry problems.
As a Scientific Consultant in the Customer Engagement Team, I contribute to the design and advancement of quantum algorithms tailored to practical use cases for clients, primarily in industry and also in academia. My expertise lies in quantum chemistry, machine learning and professional software development.
Shortly after completing my PhD I moved to Germany to join Prof. Frank Noé’s group at FU Berlin. His interdisciplinary AI4Science Group is conducting state-of-the-art research in the development of machine learning methods for problems arising in the natural sciences.
My research focused on the development of DeepQMC - a Python package which implements variational quantum Monte Carlo for electrons in molecules, using deep neural networks written in PyTorch/JAX as trial wave functions. The recent success of PauliNet, created by Hermann et al., demonstrates the huge potential of the DeepQMC approach.
Responsibilities included:
- Providing continuous one-to-one tuition to a physics master’s student.
- Providing additional support to maths and science undergraduates during lectures, seminars and examinations.
Thesis: Characterising and approximating exact density functionals for model
electronic systems
Supervisor: Prof. Rex Godby
- Culminated in four first-author papers in highly regarded journals.
- Attended and presented research at several conferences across the UK, Europe and the US.
- Invited talk delivered to the Electronic Structure Discussion Group (ESDG) at the University of Cambridge.
- Numerous seminars delivered to the Condensed Matter Physics Institute at the University of York.
- Co-supervised several BSc and MPhys students with their own research projects.
- Part of collaborative effort to develop and release the iDEA code.
- Achieved highest possible grade in all graduate-level courses.
Responsibilities included:
- Delivering problem classes to groups (25-40) of undergraduate students.
- Delivering tutorials to small groups (4-8) of undergraduate students.
- Helping deliver Python computational labs to classes (100) of undergraduate students.
- Marking coursework and giving written/verbal feedback to undergraduate students.
- Successfully completing the University of York’s Teaching and Learning course.
Teaching
Syllabus: dimensions, one-dimensional kinematics, two-dimensional kinematics, circular motion, forces and Newton’s laws, work and energy, momentum and collisions, rotational kinematics, rotational dynamics, inertial frames of reference, Einstein’s postulates, spacetime, simultaneous events, time dilation, length contraction, Lorentz transformation, relativistic quantities, conservation laws
Mathematics I
Syllabus: differentiation, sequences and series, hyperbolic functions, integration, limits, complex numbers, first-order differential equations, second-order differential equations, vector algebra, linear algebra, matrices, matrix applications, differentiation and integration of functions of several variables
Mathematical Modelling - Python Programming
Syllabus: problem solving strategies and algorithm development, programming fundamentals and Python, loops, conditional statements, user input and printing results, debugging and testing methods, modular system and importing libraries, defining functions and using built-in functions, using Visual Python to produce animations of mechanics simulations
Electromagnetism and Waves
Syllabus: electric charge and Coulomb’s law, charge distributions, forces and fields, electric flux and Gauss’s law, work and energy in electric fields, potential energy, capacitors and capacitance, magnetic fields, Biot-Savart law, magnetic flux, electromagnetic induction - Faraday/Lenz Laws and self-inductance, Kirchoff laws, constants and waveforms, simple harmonic motion, harmonic oscillator, resonance, coupled oscillators and normal modes, the wave equation, travelling waves and the creation of harmonics, superposition - interference, reflection and standing waves, the Doppler effect, beats and dispersion
Syllabus: scalar and vector fields, grad and application to physics, divergence and application to physics, Laplace operator and Laplace’s equation, curl and application to physics, polar coordinates, matrices, matrix applications, tensors, second-order partial differential equations and application to physics, Frobenius method, Fourier series, Fourier transforms, Lagrange’s equations, Kepler’s laws, rigid body dynamics, Hamilton’s principle and the Hamiltonian
Quantum Physics II
Syllabus: postulates of QM, observables, Hermitian operators and measurements, commutators, the uncertainty principle, time-dependent SE and solutions, position and momentum operators, the Hamiltonian operator, angular momentum operators, eigenfunctions and eigenvalues, expectation values, the simple harmonic oscillator, solutions of the time-independent SE, particle in a two- and three-dimensional box, degeneracy, particle in a spherically symmetric potential, hydrogenic wavefunctions and energies
Nuclear physics
Syllabus: masses, radii and nuclear binding energy, semi-empirical mass formula, nuclide chart, limits of stability, neutron/proton separation energies, unstable nuclei: decay and radioactive dating, kinematics and Q-value for alpha and beta decay, gamma decay of excited nuclear states, quantum tunnelling for alpha decay, nuclear reactions: kinematics and notation, elastic, inelastic and capture, reaction cross-sections and Q-value for reactions, shell structure in nuclei and shell models, fission and fusion
Thermodynamics
Syllabus: systems, state functions, quasistatic reversible processes and equations of state, zeroth law of thermodynamics, empirical temperature scales and thermometers, first law of thermodynamics and internal energy, heat capacity, ideal and real gases, van der Waals and virial equations, enthalpy and latent heat, Carnot cycles, second law of thermodynamics and entropy, Otto and Diesel cycles, Clausius theorem, Helmholtz and Gibbs functions, Maxwell relations, third law of thermodynamics, applications of the fundamental ideas of thermodynamics, Clausius-Clapeyron equation, Ehrenfest’s equation
Syllabus: microstates, thermal equilibrium and temperature, entropy, elementary applications, vibrational heat capacity of solids, ideal gas, systems with variable number of particles, identical particles, blackbody radiation, the classical limit
Quantum Physics III
Syllabus: quantum mechanical commutators and their significance for the compatibility of measurements, quantum mechanical treatment of angular momentum, time-independent SE for a spherically symmetric potential and application of this to hydrogenic atoms, extension of quantum mechanics to incorporate spin, matrix mechanics, theory of measurement, approximate methods for solving the SE, nuclear moments, nuclear models, alpha decay, gamma-ray decay, beta decay, fission and fusion
RelativitySyllabus: spacetime, reference frames, interval or extension, Minkowski rotation matrix, proper time and four-vectors, mass-energy-momentum, spacetime diagrams, the principle of equivalence, the Schwarzschild Metric, the radar-time delay, geodesic equations, the curvature of light, observational effects of relativity, blackholes, Hawking radiation
Accomplishments
Contact
- michael.entwistle@kipu-quantum.com
-
Greifswalder Str. 212
10405 Berlin