Nanoscale thermodynamics: From Expeanriments and Applications to a practical Theory (noFEAT)
Lead Research Organisation:
UNIVERSITY OF EXETER
Department Name: Physics and Astronomy
Abstract
Thermodynamics plays a central role in science and engineering. Introduced at the beginning of the industrial revolution it has been applied ever since to design a great variety of useful large scale devices, from fridges to solar cells. Now technological progress is increasingly miniaturising to the nanoscale and into the quantum regime where thermal fluctuations compete with quantum fluctuations. Recent theoretical advances have started to fill the void of a thermodynamic theory that fully includes non-equilibrium aspects, small ensemble sizes and quantum properties. However, consolidating the newly developed tools and making them of practical use, by specifying implications for experiment and ultimately technology, remain challenges that need to be solved.
This project aims to bridge this gap in our understanding. To achieve this, the team will take a synergetic approach:
We will first clarify theoretically in what way quantum coherence can be regarded as a thermodynamic resource in quantum experiments where control is limited and noise is present. We will secondly use existing theoretical methods and develop new tools to analyse quantum thermodynamic experiments that attempt to show that one can draw work from quantum coherences.
Thirdly, we will set up a new theoretical framework that captures the thermodynamic properties of small scale quantum systems, which do not obey the standard thermodynamic assumption of the system interacting weakly with its environment. This includes deriving strong coupling corrections to the standard repertoire of equilibrium thermodynamics, such as the system's internal energy, its entropy and its heat capacity.
Finally, the theoretical description of nanoscale quantum systems will be translated into the context of magnetic hard disks. Hard disks store bits of information in nanometre-sized grains, which are made up of many individual quantum spins, and interact with their environment consisting of neighbouring grains as well as the crystal lattice of the magnetic material and electrons. The miniaturisation of magnetic disks is an obvious technological setting where the new theoretical methods can be applied and tested. The team will build a test model for hard disks that store information in spin-grains whose size is reduced below 8 nm. By including strong coupling and quantum effects we hope to improve simulations of the magnetisation dynamics of these small grains and identify which sources of damping and noise affect the information stored on these disks. This is important input for UK hard drive manufacturers, such as Seagate Technology which is a partner of this research programme, that helps them design hard drives that are cheap and reliable, allow for faster access times and have smaller drive sizes. The general public makes use of such hard disks for example when storing information on Dropbox, YouTube and using cloud services on smartphones.
The project combines interdisciplinary theoretical methods with advanced nanoscale experiments to extract fundamental physics insights that are then applied in an industrially relevant setting. With many technologies expected to push to the nanoscale in the next 10-20 years this is essential to enable us to harness finite size and quantum effects in modern technologies, with applications expected to range from small scale data storage and recording techniques to improvements in predictive use of medical data, imaging at small scales, energy capture and transfer in small machines, and manufacturing of nanoscale devices.
This project aims to bridge this gap in our understanding. To achieve this, the team will take a synergetic approach:
We will first clarify theoretically in what way quantum coherence can be regarded as a thermodynamic resource in quantum experiments where control is limited and noise is present. We will secondly use existing theoretical methods and develop new tools to analyse quantum thermodynamic experiments that attempt to show that one can draw work from quantum coherences.
Thirdly, we will set up a new theoretical framework that captures the thermodynamic properties of small scale quantum systems, which do not obey the standard thermodynamic assumption of the system interacting weakly with its environment. This includes deriving strong coupling corrections to the standard repertoire of equilibrium thermodynamics, such as the system's internal energy, its entropy and its heat capacity.
Finally, the theoretical description of nanoscale quantum systems will be translated into the context of magnetic hard disks. Hard disks store bits of information in nanometre-sized grains, which are made up of many individual quantum spins, and interact with their environment consisting of neighbouring grains as well as the crystal lattice of the magnetic material and electrons. The miniaturisation of magnetic disks is an obvious technological setting where the new theoretical methods can be applied and tested. The team will build a test model for hard disks that store information in spin-grains whose size is reduced below 8 nm. By including strong coupling and quantum effects we hope to improve simulations of the magnetisation dynamics of these small grains and identify which sources of damping and noise affect the information stored on these disks. This is important input for UK hard drive manufacturers, such as Seagate Technology which is a partner of this research programme, that helps them design hard drives that are cheap and reliable, allow for faster access times and have smaller drive sizes. The general public makes use of such hard disks for example when storing information on Dropbox, YouTube and using cloud services on smartphones.
The project combines interdisciplinary theoretical methods with advanced nanoscale experiments to extract fundamental physics insights that are then applied in an industrially relevant setting. With many technologies expected to push to the nanoscale in the next 10-20 years this is essential to enable us to harness finite size and quantum effects in modern technologies, with applications expected to range from small scale data storage and recording techniques to improvements in predictive use of medical data, imaging at small scales, energy capture and transfer in small machines, and manufacturing of nanoscale devices.
Planned Impact
The project's long-term impact on industry lies in advancing our understanding of thermodynamic processes at the nanoscale. At these scales strong coupling and quantum effects become important and it is uncertain which parts of the established theoretical framework of thermodynamics are applicable and which have to be modified. The project's research will help remove this uncertainty and provide the necessary scientific basis for technological progress, with applications from computer chips to medicine that are set to address many socio-economic challenges of the coming 50 years.
In the medium-term the UK magnetic hard drive industry, such as Seagate, will benefit from the project. Seagate UK is a global leader producing 400 million recording heads per year, a quarter of the entire world's supply. This sophisticated manufacturing capability generates a surplus of more than £100 million per year to the UK economy. The hard drive industry seeks to increase the storage capacity of future hard drives while keeping their size small and their operation time fast. The project will provide a new quantum thermostat to model the equilibrium properties of a magnetic material and its magnetisation dynamics, and help predict optimal production parameters reducing the need to prepare and test samples. This will contribute to maintain an economically significant and highly sophisticated manufacturing capability in the UK, which provides more than 1500 jobs to highly skilled workers.
I have established contacts with representatives from Seagate (see letter of support) and academics working closely with Seagate (Roy Chantrell, see letter of support). To ensure the programme's findings can make full impact for industrial stakeholders I will visit Mark Gubbins and his R+D team at Seagate, update industry representatives who have expressed an interest in the proposed research, including Andrew Shields (Toshiba, see letter of support) and Colin Williams (D-Wave), and seek advice from the programme's Advisory Board which includes an industry expert, Ulrik Imberg (Huawei). I will organise a stakeholder workshop at the start of Year 3 bringing together a multidisciplinary range of scientists, industry experts and policy makers to discuss what scientific breakthroughs have recently been made and identify challenges of the UK industry that may be resolved with nanoscale thermodynamics expertise.
Nanoscale data storage devices that can quickly access large amounts of data will provide the storage capacity required for modern cloud storage services, such as Dropbox and smartphone data storage. Such devices are anticipated to allow improved large-scale data mining capabilities enabling, for example, the analysis of medical data that would feed into prevention, impacting directly on society's well-being. The long term impact of nanotechnologies on society is expected to include the improvement of healthcare through precision sensing, the provision of small scale and powerful computer chips, and efficient energy capture, such as photovoltaics.
Together with my team I will actively engage in raising the public's awareness and interest in quantum physics by contributing topical newspaper articles, giving stimulating public lectures, and explaining the scientific method and recent discoveries to the public at UK science festivals.
Finally, the project will train people in skills that are highly sought by UK academia and industry, including computer programming, team-working, public speaking, project and people management, and problem solving in general.
In the medium-term the UK magnetic hard drive industry, such as Seagate, will benefit from the project. Seagate UK is a global leader producing 400 million recording heads per year, a quarter of the entire world's supply. This sophisticated manufacturing capability generates a surplus of more than £100 million per year to the UK economy. The hard drive industry seeks to increase the storage capacity of future hard drives while keeping their size small and their operation time fast. The project will provide a new quantum thermostat to model the equilibrium properties of a magnetic material and its magnetisation dynamics, and help predict optimal production parameters reducing the need to prepare and test samples. This will contribute to maintain an economically significant and highly sophisticated manufacturing capability in the UK, which provides more than 1500 jobs to highly skilled workers.
I have established contacts with representatives from Seagate (see letter of support) and academics working closely with Seagate (Roy Chantrell, see letter of support). To ensure the programme's findings can make full impact for industrial stakeholders I will visit Mark Gubbins and his R+D team at Seagate, update industry representatives who have expressed an interest in the proposed research, including Andrew Shields (Toshiba, see letter of support) and Colin Williams (D-Wave), and seek advice from the programme's Advisory Board which includes an industry expert, Ulrik Imberg (Huawei). I will organise a stakeholder workshop at the start of Year 3 bringing together a multidisciplinary range of scientists, industry experts and policy makers to discuss what scientific breakthroughs have recently been made and identify challenges of the UK industry that may be resolved with nanoscale thermodynamics expertise.
Nanoscale data storage devices that can quickly access large amounts of data will provide the storage capacity required for modern cloud storage services, such as Dropbox and smartphone data storage. Such devices are anticipated to allow improved large-scale data mining capabilities enabling, for example, the analysis of medical data that would feed into prevention, impacting directly on society's well-being. The long term impact of nanotechnologies on society is expected to include the improvement of healthcare through precision sensing, the provision of small scale and powerful computer chips, and efficient energy capture, such as photovoltaics.
Together with my team I will actively engage in raising the public's awareness and interest in quantum physics by contributing topical newspaper articles, giving stimulating public lectures, and explaining the scientific method and recent discoveries to the public at UK science festivals.
Finally, the project will train people in skills that are highly sought by UK academia and industry, including computer programming, team-working, public speaking, project and people management, and problem solving in general.
Organisations
- UNIVERSITY OF EXETER (Lead Research Organisation)
- Steklov Mathematical Institute (Collaboration)
- Seagate Technology (Ireland) (Collaboration, Project Partner)
- Max Planck Society (Collaboration)
- Memorial University of Newfoundland (Collaboration)
- Toshiba Research Europe Ltd (Collaboration)
- Exeter Science Centre (Collaboration)
- Ćcole Normale SupĆ©rieure, Paris (Collaboration)
- National Center for Scientific Research (Centre National de la Recherche Scientifique CNRS) (Collaboration)
- Indian Institute of Technology Hyderabad (Collaboration)
- University of Oxford (Collaboration)
- University of Queensland (Collaboration)
- University of Bristol (Collaboration)
- Toshiba Europe Limited (Project Partner)
- University of York (Project Partner)
- ENS-LSH Lyon (Project Partner)
People |
ORCID iD |
| Janet Anders (Principal Investigator / Fellow) |
Publications
Abiuso P
(2022)
Thermodynamics and optimal protocols of multidimensional quadratic Brownian systems
in Journal of Physics Communications
Anders J
(2019)
Powering an Engine with Quantum Coherence
in Physics
Anders J
(2022)
Quantum Brownian motion for magnets
in New Journal of Physics
Anders J
(2020)
Quantum Brownian Motion for Magnets
Berritta M
(2023)
Accounting for Quantum Effects in Atomistic Spin Dynamics
Berritta M
(2024)
Accounting for quantum effects in atomistic spin dynamics
in Physical Review B
Cerisola F
(2024)
Quantum-classical correspondence in spin-boson equilibrium states at arbitrary coupling
in New Journal of Physics
| Description | - showed that quantum effects can be effectively included in atomistic spin dynamics simulations. - provided code that can simulate stochastic spin-dynamics beyond the LLG equation (SpiDy software, 2022). - built complete theoretical framework of equations governing stochastic spin-dynamics beyond the LLG regime (JA2022). This theory includes quantum and coloured stochastic noise, and non-Markovian kernels (i.e. inertial terms that can now be measured in ultrafast magnetisation experiments). - computed new analytical expressions for quantum equilibrium states of nanoscale systems that are non-negligibly coupled to their environment (JC2021, AT2022) -- this is a key ingredient for building a full understanding of the magnetisation curves of certain materials - developed global quantum thermometry theory, which has the capability of finding correct estimates of temperature from limited measurement data, superseding previous "local" quantum thermometry (JR2021) - found that exceptional points of a two-partite quantum system, which are used for ultra-sensitive measurements, are not described by a global master equation (which was assumed to be the correct model) -- but instead they CAN be described by a local master equation (SS2021) - derived microscopic description of phenomenological LLG equation, and found generalised equation that describes features not captured by LLG equation, which may describe technologically relevant dynamics (ASH2020) - developed coherence extraction protocol that takes into account irreversible steps and quantified their impact on work extraction from quantum coherence (HMoh2020) - showed quantum Gibbs mixing can lead to continous work extraction, contrasting to classical Gibbs mixing, and provided proposal of how to measure this with an optomechanical platform (ZH2020a,ZH2020b) - characterised quantum corrections to work dissipation and fluctuations (HM2019,MS2020) - derived general energy+temperature uncertainty relation that characterises thermal + quantum fluctuations in strong coupling limit (HM2018) - developing experimentally relevant entropy measure for relevant subspace, key for information technology in the presence of noise - achieved first demonstration of coupling a single spin to a nanomechanical resonator, which can act as a work storage system (FF2024). |
| Exploitation Route | they have potential impact on future nanoscale technologies that have to work with quantum and strong coupling effects that are present at small scales |
| Sectors | Aerospace Defence and Marine Digital/Communication/Information Technologies (including Software) Electronics Energy Manufacturing including Industrial Biotechology |
| URL | https://github.com/quantum-exeter/SpiDy.jl#readme |
| Description | - A technical report concerning heat management in consumer devices was requested by a company from me, and the report, written together with a colleague, has had an impact on their planning of new technical design (most likely saving costs associated with trialling unviable designs). - The project aims to use tools from one discipline (quantum thermodynamics) to inform a key topic in another discipline (magnetism) with potential industrial impact. Our first paper reporting on a fully quantum thermodynamic equation that is more general than the standard LLG equation used in magnetism is now complete and dissemination to the magnetism community is now starting to take place. An online workshop was organised and held to discuss implications with key researchers. Follow up work is now under way together with magnetism modellers (JB, RE). - A new research area of global thermometry & estimation theory is beginning to emerge in part by our team's results. This method makes no assumptions on a prior other than global symmetries, superceeding previous "local" estimation approaches that can give wrong or inaccurate estimates. |
| Sector | Digital/Communication/Information Technologies (including Software),Electronics,Energy |
| Impact Types | Cultural Economic |
| Description | EPSRC & Royal Society grant panels |
| Geographic Reach | National |
| Policy Influence Type | Influenced training of practitioners or researchers |
| Description | Invited+attended European Science policy scoping meeting: COST CONNECT, Warsaw March 2018 |
| Geographic Reach | Europe |
| Policy Influence Type | Participation in a guidance/advisory committee |
| URL | http://www.cost.eu/COST_connect |
| Description | Molecular Mechanics of Enzymes |
| Amount | £2,086,999 (GBP) |
| Funding ID | EP/T002875/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 03/2019 |
| End | 03/2022 |
| Description | Nanomechanics in the solid-state for quantum information thermodynamics (NanoQIT) |
| Amount | $1,815,039 (USD) |
| Organisation | Foundational Questions Institute (FQXi) |
| Sector | Charity/Non Profit |
| Country | United States |
| Start | 09/2019 |
| End | 10/2023 |
| Title | efficient numerical method of simulating spin dynamics with memory and coloured noise |
| Description | Provided an efficient numerical method of simulating spin dynamics with memory and coloured noise. This complements widly used methods for atomistic spin dynamics simulations that cannot currently simulate memory and coloured noise. |
| Type Of Material | Computer model/algorithm |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | integration of our method in atomistic simulations is ongoing |
| URL | https://iopscience.iop.org/article/10.1088/1367-2630/ac4ef2/meta |
| Title | global thermometry & improved data analysis |
| Description | New global thermometry estimation method developed that can improve data analysis in quantum, classical and biophysics experiments. I.e. get more information out of limited data due to a better method of analysing the given data. |
| Type Of Material | Data analysis technique |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | - improved estimates of k_on and k_off rates in DNA binding events https://pubs.acs.org/doi/abs/10.1021/acsphotonics.1c01179, - improved estimation of atom number in cold atom quantum technology experiment https://arxiv.org/abs/2410.10615, - further impacts ongoing |
| URL | https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.127.190402 |
| Title | using fluctuation relations on MD simulation data |
| Description | This new data analysis method is reported in https://pubs.acs.org/doi/10.1021/acs.jctc.3c00785 This method produces good theoretical estimates of free energy difference of de novo heme proteins in comparison to the wild type form. This can a priori inform what may be promising heme protein mutations to try out experimentally. |
| Type Of Material | Data analysis technique |
| Year Produced | 2023 |
| Provided To Others? | Yes |
| Impact | other than readers of the paper, no impacts known of yet |
| URL | https://pubs.acs.org/doi/10.1021/acs.jctc.3c00785 |
| Description | Collaboration with Archak Purkayastha, Indian Institute of Technology Hyderabad |
| Organisation | Indian Institute of Technology Hyderabad |
| Country | India |
| Sector | Academic/University |
| PI Contribution | We have identified the research question -- the need for a fuller characterisation of thermalisation behaviour of quantum systems used for storing and transporting quantum information. We have contributed our expertise in open quantum system thermalisation, i.e. predicting the quantum state that the system will settle to in the long time limit. |
| Collaborator Contribution | The collaborators contribute expertise in numerical solutions using exact diagonalisation, and eigenstate thermalisation hypothesis. They have run detailed numerics to characterise the thermalisation behaviour of a double quantum dot system, which is a candidate for storing quantum information. |
| Impact | A preprint publication summarising the results is completed and currently in submission. |
| Start Year | 2023 |
| Description | Collaboration with Matt Davis and group, University of Queensland |
| Organisation | University of Queensland |
| Country | Australia |
| Sector | Academic/University |
| PI Contribution | The collaborator team are experts in cold atom physics. Our own expertise is in the quantum thermodynamic aspects of how to extract work from quantum coherences. By working together we have figured out how a coherence-work-extraction protocol could in fact be realised with cold atoms with state-of-the-art experimental control. The result provides new insight on how quantum states of matter can be used to store and efficiently manipulate information and energy at the nanoscale. A paper reporting on our protocol is now published in the journal Quantum Science and Technology. |
| Collaborator Contribution | Contributed many hours of research work on developing the work-from-coherence protocol for the context of cold atoms (binary Bose-Einstein condensate). |
| Impact | Publication: https://iopscience.iop.org/article/10.1088/2058-9565/ad8fc9/meta |
| Start Year | 2023 |
| Description | Exeter Science Centre |
| Organisation | Exeter Science Centre |
| Country | United Kingdom |
| Sector | Charity/Non Profit |
| PI Contribution | Leveraged grant co-funding from University to contribute to the start-up funds for the new Exeter Science Centre. Provided advise on science communication and networking. |
| Collaborator Contribution | The Exeter Science Centre team organised several fantastic online events, including a well-attended live-show on the conjunction of Jupiter and Saturn. The Exeter Science Centre team has further provided training for group members on public outreach. Some of them have written small pieces for the Exeter Science Centre webpage/assisted with their public engagement events. The Exeter Science Centre team is now preparing a video for the national/international public, on the research collaborations and culture within quantum/nano-thermodynamics. We expect this video to be available later this year. |
| Impact | Outcomes: informing the general public about science and educating children in science/scientific method. |
| Start Year | 2020 |
| Description | collaboration with M Perarnau-Llobet, Max-Planck Institut Garching, Germany |
| Organisation | Max Planck Society |
| Department | Max Planck Institute of Quantum Optics |
| Country | Germany |
| Sector | Charity/Non Profit |
| PI Contribution | Calculated the quantum corrections to work fluctuations and dissipation for slowly driven quantum systems. Discussed implications and wrote manuscripts reporting on these findings. Reported results in conference talks. |
| Collaborator Contribution | Calculated the quantum corrections to work fluctuations and dissipation for slowly driven quantum systems. Discussed implications and wrote manuscripts reporting on these findings. Reported results in conference talks. |
| Impact | 2 manuscripts, now both published. |
| Start Year | 2019 |
| Description | collaboration with N Ares, University of Oxford |
| Organisation | University of Oxford |
| Department | Quantum Materials |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | I provide theory expertise on quantum thermodynamics to the experimental project lead by N Ares. We have bimonthly meetings to discuss their experimental findings, i.e. data of the current measured going through a carbon nanotube with a quantum dot, and provide models that can provide insight into the origin of some observations made for the first time. We also provide advice on how to develop the experiment to be able to test new theoretical predictions concerning quantum thermodynamic signatures for the first time. |
| Collaborator Contribution | The group of N Ares provide worldleading expertise in nanomechanical experiments, and access to their data that enables us to develop new scientific understanding in a fully integrated theory+experiment manner. |
| Impact | Two papers from this collaboration are now published, see publications section. Most recently, we have achieved a breakthrough: demonstrating coupling between a spin localise in a quantum dot on a nanotube, and the high-frequency motion of the nanotube. This result is now available on the arxiv (2402.19288). Further outcomes include a lot of knowledge building for the entire team. A postdoc associated with my group is being trained in quantum thermodynamics theory and the highly transferrable skill of translating theory to experiment and vice versa. The team consists of a total of 12 researchers, many early career researchers, who are also trained in modelling, synthesis and science communication. |
| Start Year | 2020 |
| Description | collaboration with Seagate |
| Organisation | Seagate Technology (Ireland) |
| Country | Ireland |
| Sector | Private |
| PI Contribution | We carried out the research on quantum/strong coupling effects on equilibrium magnetisation. We have fed this information to magnetism modellers (in York and Leeds) who work directly with Seagate and other industrial partners. |
| Collaborator Contribution | personal communication, no other contributions required |
| Impact | Several publications reporting on equilibrium magnetisation properties, including: generalised quantum LLG equation (NJP2022), quantum-classical transition (arxiv2204.10874), spectral densities for phonon environments (Europhysics Letters 2022), accounting for quantum effects in ASD (2305.17082), see publication list for further details. A range of talks to national and international audiences on the quantum thermodynamic aspects of modelling such systems, including at IFISC Spain, Toronto Quantum Technologies conference, Sitges Conference on Statistical Physics, CQT Singapore. Collaboration is multidisplinary involving: underpinning quantum thermodynamic theory and (classical) atomistic magnetism simulations. |
| Start Year | 2018 |
| Description | collaboration with Toshiba |
| Organisation | Toshiba Research Europe Ltd |
| Department | Cambridge Research Laboratory - Toshiba |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | as per grant, started research on quantum/strong coupling effects on equilibrium magnetisation |
| Collaborator Contribution | personal communication, no contribution required yet |
| Impact | Sent report to Toshiba, summarising my group's research outcomes on modelling magnetisation dynamics with quantum tools. Received "of interest" and "thank you". No further exchange currently planned for near future. |
| Start Year | 2018 |
| Description | collaboration with mathematical physicists at Uni Newfoundland and Steklov Institute established |
| Organisation | Memorial University of Newfoundland |
| Country | Canada |
| Sector | Academic/University |
| PI Contribution | Collaboration with mathematical physicsts (Trushechkin, Merkli). Initiated and led writing of an extensive overview article on the topic of mean force corrections in equilibrium quantum systems. Contributed specialist knowledge on recent strong coupling thermodynamics/mean force results and methods. ** now continuing collaboration with Merkli and Purkayastha on providing the missing link between two subfields: open quantum systems theory methods and predictions on the one hand side, and eigenstate thermalization methods and predictions on the other side. |
| Collaborator Contribution | Contributed specialist knowledge on results and methods on the topics of Return to Equilibrium and steady states of various quantum master equations. |
| Impact | overview article, now published as a featured article in AVS Quantum Science. |
| Start Year | 2021 |
| Description | collaboration with mathematical physicists at Uni Newfoundland and Steklov Institute established |
| Organisation | Steklov Mathematical Institute |
| Country | Russian Federation |
| Sector | Academic/University |
| PI Contribution | Collaboration with mathematical physicsts (Trushechkin, Merkli). Initiated and led writing of an extensive overview article on the topic of mean force corrections in equilibrium quantum systems. Contributed specialist knowledge on recent strong coupling thermodynamics/mean force results and methods. ** now continuing collaboration with Merkli and Purkayastha on providing the missing link between two subfields: open quantum systems theory methods and predictions on the one hand side, and eigenstate thermalization methods and predictions on the other side. |
| Collaborator Contribution | Contributed specialist knowledge on results and methods on the topics of Return to Equilibrium and steady states of various quantum master equations. |
| Impact | overview article, now published as a featured article in AVS Quantum Science. |
| Start Year | 2021 |
| Description | collaboration with physical chemists at University of Bristol |
| Organisation | University of Bristol |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Transfer of methods (fluctuation relations) used and developed in this project to make an impact in neighbouring fields. Contributions include: analysis of MD simulation data with fluctuation relations and appropriate Baysian methods to extract best estimate of redox potentials of de novo proteins. Wrote large parts of paper reporting on results. |
| Collaborator Contribution | Performed MD simulations of 5 de novo proteins. Synthesised these proteins in the lab and measured redox potentials experimentally. |
| Impact | This is a multidisciplinary collaboration (chemistry, biophysics, theoretical physics). Outcomes include - predicted redox potentials for 5 de novo proteins, obtained with MD simulation+fluctuations - comparison to experimentally measured redox potentials and established numerical methods - paper written reporting on the above, now published. |
| Start Year | 2021 |
| Description | collaboration with quantum optics group of Alexia Auffeves - Neel Institute, CNRS, Grenoble |
| Organisation | National Center for Scientific Research (Centre National de la Recherche Scientifique CNRS) |
| Department | Centre National de la Recherche Scientifique Grenoble |
| Country | France |
| Sector | Public |
| PI Contribution | working on microsopic trajectory model that uncovers the mechanism by which quantum coherences assist work extraction - my team's contribution: thermodynamic protocol for drawing work from quantum coherences |
| Collaborator Contribution | quantum trajectories picture |
| Impact | worked and published paper on footprints of irreversibility in the quantum regime together with Mohammady, continued working together on the nanotube platform of N Ares -- see separate collaboration. |
| Start Year | 2018 |
| Description | collaboration with superconducting qubit group at ENS Lyon (Huard group) established |
| Organisation | Ćcole Normale SupĆ©rieure, Paris |
| Country | France |
| Sector | Academic/University |
| PI Contribution | provided thermodynamic analysis of superconducting qubit experiment, developed concept of binary entropy appropriate for the experiment, wrote paper |
| Collaborator Contribution | performed the experiment, data analysis and numerical simulation |
| Impact | research partnership established, paper published in PNAS, this is multidisciplinary research: combining experimental superconducting qubits with theoretical analysis of thermodynamic energy and entropy changes |
| Start Year | 2016 |
| Title | SpiDy code |
| Description | Spin-Dynamics Julia package. The code is a generalization of the results obtained in the paper "Quantum Brownian motion for magnets" (NJP 2022) to account for arbitrary dimensional system-bath coupling. The system considered is a quantized three-dimensional spin + environment Hamiltonian. The code solves a set of differential equations for the spin vector where the damping accounts for memory, arbitrary noise and arbitrary statistics. |
| Type Of Technology | Software |
| Year Produced | 2022 |
| Open Source License? | Yes |
| Impact | Provides an efficient method to simulate the non-Markovian dynamics of a stochastically forced spin vector. Provides tool for several students/postdocs to solve such complicated dynamics with ease. Is a component that allows integration into large scale atomistic spin dynamics simulations, adding coloured and quantum noise, as well as inertial terms now measured in ultrafast magnetisation experiments. |
| URL | https://github.com/quantum-exeter/SpiDy.jl |
| Description | "Residential" Scholars programme (pre-Uni pupils from disadvantaged areas) |
| Form Of Engagement Activity | Participation in an open day or visit at my research institution |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Schools |
| Results and Impact | For a virtual "residential" Scholars programme at the University of Exeter, I gave an educational talk on quantum cryptography and provided Q&A session for pre-Uni pupils from disadvantaged backgrounds considering university education. |
| Year(s) Of Engagement Activity | 2020 |
| URL | https://www.exeter.ac.uk/exeterscholars/currentparticipants/year12subjectactivitystrandsdatesinforma... |
| Description | 2021 Quantum Thermodynamics conference |
| Form Of Engagement Activity | A formal working group, expert panel or dialogue |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Postgraduate students |
| Results and Impact | ca 200 international researchers attended this large annual conference (online due to Covid). The talks, given by all career levels from eminent professors to undergraduate students, sparked engaged scientific debate about the role of quantum effects in thermodynamic processes and thermodynamic aspects of quantum technologies. Such conferences also contribute to building and maintaining international collaborations between a large group of individuals across the globe. |
| Year(s) Of Engagement Activity | 2021 |
| URL | https://qtd2021.ch/ |
| Description | Australian Centre for Engineered Quantum Systems workshop |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Postgraduate students |
| Results and Impact | Invited speaker at Australian Quantum Science workshop at which large grant funding Australian quantum science was evaluated. Audience consisted of ca 100 attendees, incl senior scientists, postdocs and postgraduate students, as well as international evaluation panel. Talk sparked much discussion about the connection between challenges current quantum technologies face and the field of quantum thermodynamics. |
| Year(s) Of Engagement Activity | 2019 |
| URL | https://equs.org/ |
| Description | Engagement with Airbus |
| Form Of Engagement Activity | Participation in an open day or visit at my research institution |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Industry/Business |
| Results and Impact | Stakeholder engagement with funded research project. Mini workshop to establish common interests between Airbus' Communications research&development team and our wider University research team. Several avenues identified for future follow up/potential collaboration. |
| Year(s) Of Engagement Activity | 2021 |
| Description | Metamaterials network - Special interest group on Nanophotonic & Plasmonic Metamaterials |
| Form Of Engagement Activity | A formal working group, expert panel or dialogue |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Open discussion to find key strategies for enabling the new national Metamaterials network to promote closer working between university researchers and industry. |
| Year(s) Of Engagement Activity | 2021 |
| Description | Mini-workshop on strong coupling thermodynamics theory |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Initiated and organised a (grassroots) mini workshop bringing together international experts in strong coupling thermodynamics theory. Aim was to develop together a consolidated picture of the current state of the art, and to identify next scientific steps. This was successful. |
| Year(s) Of Engagement Activity | 2021 |
| Description | Press release - Energy+temperature uncertainty |
| Form Of Engagement Activity | A press release, press conference or response to a media enquiry/interview |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Media (as a channel to the public) |
| Results and Impact | press release for our publication: Nature Communicationsvolume 9, Article number: 2203 (2018) resulting in 8 international News Articles in popular science outlets, and 2 blog mentions. |
| Year(s) Of Engagement Activity | 2018 |
| Description | QTD2019 - main Quantum Thermodynamics for year 2019 conference organisation |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Initiated and directed organisation of largest international conference in quantum thermodynamics, QTD2019 in Helsinki, with more than 120 attendees, which provided platform for exchange of new scientific findings and newest experimental advances. |
| Year(s) Of Engagement Activity | 2020 |
| URL | https://qtd2019.aalto.fi/ |
| Description | Winterschool lecturer, Buenos Aires |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Postgraduate students |
| Results and Impact | Gave 3 lectures on quantum thermodynamics to audience of mostly Southamerican physics PhD students as part of famous annual Physics winterschool. Raised interest in field of quantum science/technology. |
| Year(s) Of Engagement Activity | 2019 |
| URL | https://giambiagi2019.df.uba.ar/ |
| Description | mini workshop on atomistic & quantum magnetism theory |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | initiated and led (grassroots) mini workshop, bringing together experts from the fields of atomistic magnetism theory with my group working with new quantum thermodynamics theory methods. The aim was to continute breaking down knowledge boundaries between different disciplines. This was successful. |
| Year(s) Of Engagement Activity | 2021 |
| Description | outreach video with Exeter Science Centre |
| Form Of Engagement Activity | Engagement focused website, blog or social media channel |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Schools |
| Results and Impact | Made outreach Video together with the Exeter Science Centre about the scientific method of today's research, and details on the research conducted by our group. The video is now finished and posted on YouTube. The video has been seen by more than 700 viewers and is one of the most popular videos hosted by the Exeter Science Centre . |
| Year(s) Of Engagement Activity | 2023,2024 |
| URL | https://www.youtube.com/watch?v=FpIZXG8ILc8 |