Charlotte Vale
Academic and research departments
Leverhulme Quantum Biology Doctoral Training Centre (QB-DTC), Quantum Foundations Centre, Theory and Computation Group, Open quantum systems in biology, Quantum thermodynamics, Department of Physics, Department of Chemistry, Faculty of Engineering and Physical Sciences.About
In 2019 Charlotte received BSc (Hons) Physics from the University of Lincoln, performing two summer research projects "Statistical Analysis of Granular Media" under the supervision of Dr Fabien Paillusson and "Combinatoric Modelling of Hydrogen Bonding" under the supervision of Dr Martin Greenall, as well as writing a thesis on "A Geometric View of Electromagnetism" which was also under Dr Paillusson's supervision.
Following this, in 2021 Charlotte received MSc Mathematical and Theoretical Physics from the University of Sheffield, writing a literature review on "Two Dimensional Quantum Field Theories" under the supervision of Professor Elizabeth Winstanley and a thesis on "Paradoxes of the Quantum Aspects of Black Holes: Approaching Quantum Gravity through the Firewall Paradox" under the supervision of Dr Kento Osuga and Dr Andrea Brini.
In 2020 Charlotte joined the Quantum Biology Doctoral Training Centre (overlap with MSc due to covid) with research interests spanning theoretical physics, computational chemistry, and mathematical biology. More details of her primary research project -- "Spin Dynamics of Radical Pairs in Cellular Environments" under the supervision of Dr Brendan Howlin (computational chemistry), Dr Daniel Kattnig (theoretical physics and mathematical modelling; University of Exeter), and Professor Johnjoe McFadden (biology advisor) -- are covered on the Research page.
University roles and responsibilities
- FEPS Research Degree Committee PGR Member
- Chair of the FEPS PGR Student Engagement Forum
- Chemistry Athena SWAN Self-Assessment Team PGR Member
- Chemistry & Quantum Biology FEPS PGR Representative
- LGBT+ STEM Day Organising Committee Member
- SU's LGBT+ Society Postgraduate Students' Officer & Committee Chair
My qualifications
BSc Thesis:
Title: "A Geometric View of Electromagnetism"
Supervisor: Dr. Fabien Paillusson
MSc Thesis:
Title: "Paradoxes of the Quantum Aspects of Black Holes: Approaching Quantum Gravity through the Firewall Paradox"
Supervisor: Dr. Kento Osuga
Affiliations and memberships
Isoniazid and its radical form
Isoniazid interacting with NAD
Structure of the S315T KatG mutant from Mycobacterium tuberculosis with hemes highlighted
A view of a heme in the structure of the S315T KatG mutant from Mycobacterium tuberculosis
Structure of InhA from Mycobacterium tuberculosis with INH-NAD adduct highlighted
A view of an INH-NAD adduct in the structure of InhA from Mycobacterium tuberculosis
ResearchResearch interests
My research interests span theoretical physics, computational chemistry, and mathematical biology.
Physically, I am interested in the evolution of entangled spin systems in a general sense, particularly radical pairs. I am especially interested in the effect of noise on coherence, the quantum-classical interface, and thermal effects that arise from such a spin configuration being embedded in a biochemical background. I probe this using methods of open quantum systems.
Chemically, I am particularly interested in the activation of the pro-drug isoniazid. Isoniazid is an antitubercular drug whose precise activation mechanism is unknown, one suggested pathway being via the formation of radical pairs. It is thought that specific isotopic substitutions could enhance the singlet-triplet interconversion of such radical pairs due to their large hyperfine coupling. I investigate this with a varied combination of computational chemistry techniques from classical techniques of molecular docking and molecular dynamics, through to ab initio numerical quantum chemistry calculations via density functional theory to find hyperfine coupling constants and electronic structures, as well as hybrid quantum mechanical/molecular mechanical techniques where appropriate.
Mathematically, I am interested in the system's non-Markovianity. This is also investigated via the framework of open quantum systems.
Research projects
Spin Dynamics of Radical Pairs in Mycobacterium tuberculosisSpin dynamics is the study of the evolution of the quantum property of matter known as spin angular momentum (often simply 'spin'). I am interested in studying the spin dynamics of radical pair systems, where two 'lone' electrons attached to different atoms/molecules interact with one another. In the context of quantum biology, this type of research has been used to model the avian magnetic compass via the radical pair mechanism; this is probably the largest growing field within the discipline.
Mycobacterium tuberculosis (TB) is a system of interest as it is responsible for the deaths of 1-2 million people worldwide annually and, for example, HIV sufferers are 15-21 times more likely to develop active TB. There are also increased instances of mutations causing drug resistance (in this case resistance to the pro-drug isoniazid, mentioned in the Research Interests section), thus this study may not only develop the field of quantum biology but also help to combat this problem.
An Investigation of Non-Markovian Radical Pair Spin Dynamics in CryptochromeCryptochromes are candidate proteins to describe the mechanism of action responsible for avian magnetoreception, the radical pair mechanism. The radical pair mechanism has been the subject of much theoretical consideration, however the study of the spin dynamics of these radical pair systems via open quantum systems is novel. We consider environments ranging from strictly classical, through to quantum but within the Markovian limit, and finally quantum and in the non-Markovian regime.
Research collaborations
- Prof Brendan Howlin (computational chemistry).
- Dr Daniel Kattnig (theoretical physics and mathematical modelling; University of Exeter).
- Prof Johnjoe McFadden (biology advisor).
Research interests
My research interests span theoretical physics, computational chemistry, and mathematical biology.
Physically, I am interested in the evolution of entangled spin systems in a general sense, particularly radical pairs. I am especially interested in the effect of noise on coherence, the quantum-classical interface, and thermal effects that arise from such a spin configuration being embedded in a biochemical background. I probe this using methods of open quantum systems.
Chemically, I am particularly interested in the activation of the pro-drug isoniazid. Isoniazid is an antitubercular drug whose precise activation mechanism is unknown, one suggested pathway being via the formation of radical pairs. It is thought that specific isotopic substitutions could enhance the singlet-triplet interconversion of such radical pairs due to their large hyperfine coupling. I investigate this with a varied combination of computational chemistry techniques from classical techniques of molecular docking and molecular dynamics, through to ab initio numerical quantum chemistry calculations via density functional theory to find hyperfine coupling constants and electronic structures, as well as hybrid quantum mechanical/molecular mechanical techniques where appropriate.
Mathematically, I am interested in the system's non-Markovianity. This is also investigated via the framework of open quantum systems.
Research projects
Spin dynamics is the study of the evolution of the quantum property of matter known as spin angular momentum (often simply 'spin'). I am interested in studying the spin dynamics of radical pair systems, where two 'lone' electrons attached to different atoms/molecules interact with one another. In the context of quantum biology, this type of research has been used to model the avian magnetic compass via the radical pair mechanism; this is probably the largest growing field within the discipline.
Mycobacterium tuberculosis (TB) is a system of interest as it is responsible for the deaths of 1-2 million people worldwide annually and, for example, HIV sufferers are 15-21 times more likely to develop active TB. There are also increased instances of mutations causing drug resistance (in this case resistance to the pro-drug isoniazid, mentioned in the Research Interests section), thus this study may not only develop the field of quantum biology but also help to combat this problem.
Cryptochromes are candidate proteins to describe the mechanism of action responsible for avian magnetoreception, the radical pair mechanism. The radical pair mechanism has been the subject of much theoretical consideration, however the study of the spin dynamics of these radical pair systems via open quantum systems is novel. We consider environments ranging from strictly classical, through to quantum but within the Markovian limit, and finally quantum and in the non-Markovian regime.
Research collaborations
- Prof Brendan Howlin (computational chemistry).
- Dr Daniel Kattnig (theoretical physics and mathematical modelling; University of Exeter).
- Prof Johnjoe McFadden (biology advisor).
Teaching
Graduate Teaching Assistant for:
Previously worked on:
- PHY3044 -- Advanced Quantum Physics (Marking and demonstrating);
- PHY2063 -- Energy, Entropy, and Numerical Physics (Demonstrating [mathematical] thermodynamics and statistical mechanics);
- CHE2043 -- Computer Modelling in Chemistry (Demonstrating);
- PHY1038 -- Mathematical and Computational Physics (Demonstrating mathematical physics);
- PHY1040 -- Atoms and Quanta (Demonstrating);
- CHE1040 -- Mathematics, Computing, and Statistical Skills (Demonstrating).
External work:
- PHY3001M, University of Lincoln -- Advanced Topics in Physics & Physics Seminar (Seminar on my research thus far, March 2021).