Professor Debra Bernhardt
Professor

Debra Bernhardt

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Phone: 
+61 7 334 63939

Background

Professor Debra Bernhardt is internationally recognised for her contributions to the development of nonequilibrium statistical mechanics and thermodynamics including far-from-equilibrium fluids and confined fluids. She is a Fellow of Australian Academy of Science and the Royal Australian Chemical Institute and an ARC Australian Laureate Fellow. Professor Bernhardt’s 30 years of research experience includes appointments at the University of Basel, Switzerland; the Australian National University; and Griffith University, where she was founding director of the Queensland Micro- and Nanotechnology Centre. Professor Bernhardt's research interests focus on the use of a range of theoretical and computational approaches to develop a fundamental understanding of the behaviour of matter, and application of these approaches to a wide range of problems including transport in nanopores, fluctuation phenomena, design of materials, gas separation, energy storage and conversion.

Availability

Professor Debra Bernhardt is:
Available for supervision
Media expert

Qualifications

  • Bachelor (Honours) of Science (Advanced), University of Newcastle
  • Doctor of Philosophy, University of Newcastle

Research impacts

Research:

Theoretical and computational molecular science: nonequilibrium systems, fluids and materials.

Professor Bernhardt has played a lead role in the development of the statistical mechanics of nonequilibrium fluids including the fluctuation theorems, that lead to many results including the fact that transport coefficients are positive. Predictions from the theories developed have been validated using nonequilibrium molecular dynamics simulations and experiment and the work has had international impact. For example, her work with the Evans and Sevick groups at the Australian National University resulted in the theoretical development of a fluctuation theorem that could be experimentally verified. This result was verified using computer simulations and experiment, providing the first experimental verification of any fluctuation theorem (Phys Rev Lett, 2002) which has been over 700 times (Scopus) and was listed by the American Institute of Physics as one of 19 notable physics developments in 2002.

Since that time fluctuation theorems have become well established area of research and is applied in a wide range of fields.

Search Professor Debra Bernhardt’s works on UQ eSpace

225 works between 1987 and 2024
All (225) Journal Article (203) Book Chapter (4) Conference Publication (12) Book (2) Other Outputs (4)

181 - 200 of 225 works

2001

Journal Article

A local fluctuation theorem

Ayton, G, Evans, DJ and Searles, DJ (2001). A local fluctuation theorem. Journal of Chemical Physics, 115 (5), 2033-2037. doi: 10.1063/1.1385158

A local fluctuation theorem

2001

Journal Article

Fluctuation theorem for Hamiltonian systems: Le Chatelier's principle

Evans, DJ, Searles, DJ and Mittag, E (2001). Fluctuation theorem for Hamiltonian systems: Le Chatelier's principle. Physical Review E, 63 (5). doi: 10.1103/PhysRevE.63.051105

Fluctuation theorem for Hamiltonian systems: Le Chatelier's principle

2001

Journal Article

Fluctuation theorem for heat flow

Searles, DJ and Evans, DJ (2001). Fluctuation theorem for heat flow. International Journal of Thermophysics, 22 (1), 123-134. doi: 10.1023/A:1006759703505

Fluctuation theorem for heat flow

2000

Journal Article

Note on the Kaplan-Yorke dimension and linear transport coefficients

Evans, D. J., Cohen, E. G. D., Searles, D. J. and Bonetto, F. (2000). Note on the Kaplan-Yorke dimension and linear transport coefficients. Journal of Statistical Physics, 101 (1-2), 17-34. doi: 10.1023/A:1026449702528

Note on the Kaplan-Yorke dimension and linear transport coefficients

2000

Journal Article

Ensemble dependence of the transient fluctuation theorem

Searles, DJ and Evans, DJ (2000). Ensemble dependence of the transient fluctuation theorem. Journal of Chemical Physics, 113 (9), 3503-3509. doi: 10.1063/1.1287424

Ensemble dependence of the transient fluctuation theorem

2000

Journal Article

The fluctuation theorem and Green-Kubo relations

Searles, DJ and Evans, DJ (2000). The fluctuation theorem and Green-Kubo relations. Journal of Chemical Physics, 112 (22), 9727-9735. doi: 10.1063/1.481610

The fluctuation theorem and Green-Kubo relations

2000

Journal Article

Disproving the iceberg effect? A study of the deuteron quadrupole coupling constant of water in a mixture with dimethyl sulfoxide via computer simulations

Kirchner, B, Searles, DJ, Dyson, AJ, Vogt, PS and Huber, H (2000). Disproving the iceberg effect? A study of the deuteron quadrupole coupling constant of water in a mixture with dimethyl sulfoxide via computer simulations. Journal of the American Chemical Society, 122 (22), 5379-5383. doi: 10.1021/ja994526z

Disproving the iceberg effect? A study of the deuteron quadrupole coupling constant of water in a mixture with dimethyl sulfoxide via computer simulations

2000

Conference Publication

Generalised fluctuation formula

Searles, DJ, Ayton, G and Evans, DJ (2000). Generalised fluctuation formula. 3rd Tohwa University International Conference on Statistical Physics, Fukuoka Japan, Nov 09-12, 1999. AMER INST PHYSICS. doi: 10.1063/1.1291568

Generalised fluctuation formula

1999

Journal Article

Fluctuation theorem for stochastic systems

Searles, D. J. and Evans, D. J. (1999). Fluctuation theorem for stochastic systems. Physical Review E, 60 (1), 159-164. doi: 10.1103/PhysRevE.60.159

Fluctuation theorem for stochastic systems

1999

Journal Article

Kinetic energy conserving integrators for Gaussian thermostatted SLLOD

Zhang, F., Searles, D. J., Evans, D. J., Hansen, J. S. D. and Isbister, D. J. (1999). Kinetic energy conserving integrators for Gaussian thermostatted SLLOD. Journal of Chemical Physics, 111 (1), 18-26. doi: 10.1063/1.479358

Kinetic energy conserving integrators for Gaussian thermostatted SLLOD

1999

Journal Article

On the wavevector dependent shear viscosity of a simple fluid

Travis, Karl P., Searles, Debra J. and Evans, Denis J. (1999). On the wavevector dependent shear viscosity of a simple fluid. Molecular Physics, 97 (3), 415-422. doi: 10.1080/00268979909482841

On the wavevector dependent shear viscosity of a simple fluid

1998

Journal Article

Strain rate dependent properties of a simple fluid

Travis, K. P., Searles, D. J. and Evans, D. J. (1998). Strain rate dependent properties of a simple fluid. Molecular Physics, 95 (2), 195-202. doi: 10.1080/00268979809483151

Strain rate dependent properties of a simple fluid

1998

Journal Article

The conjugate-pairing rule for non-Hamiltonian systems

Searles, D. J., Evans, D. J. and Isbister, D. J. (1998). The conjugate-pairing rule for non-Hamiltonian systems. Chaos, 8 (2), 337-349. doi: 10.1063/1.166315

The conjugate-pairing rule for non-Hamiltonian systems

1998

Journal Article

Comment on "Modified nonequilibrium molecular dynamics for fluid flows with energy conservation" [J. Chem. Phys. 106, 5615 (1997)]

Evans, DJ, Searles, DJ, Hoover, WG, Hoover, CG, Holian, BL, Posch, HA and Morriss, GP (1998). Comment on "Modified nonequilibrium molecular dynamics for fluid flows with energy conservation" [J. Chem. Phys. 106, 5615 (1997)]. Journal of Chemical Physics, 108 (10), 4351-4352. doi: 10.1063/1.475843

Comment on "Modified nonequilibrium molecular dynamics for fluid flows with energy conservation" [J. Chem. Phys. 106, 5615 (1997)]

1998

Journal Article

Simulations of the thermal conductivity in the vicinity of the critical point

Searles, D. J., Evans, D. J., Hanley, H. J. M. and Murad, S. (1998). Simulations of the thermal conductivity in the vicinity of the critical point. Molecular Simulation, 20 (6), 385-395. doi: 10.1080/08927029808022045

Simulations of the thermal conductivity in the vicinity of the critical point

1998

Journal Article

Non-equilibrium molecular dynamics integrators using Maple

Searles, D. J., Isbister, D. J. and Evans, D. J. (1998). Non-equilibrium molecular dynamics integrators using Maple. Mathematics and Computers in Simulation, 45 (1-2), 147-162. doi: 10.1016/S0378-4754(97)00091-8

Non-equilibrium molecular dynamics integrators using Maple

1997

Journal Article

The number dependence of the maximum Lyapunov exponent

Searles, D. J., Evans, D. J. and Isbister, D. J. (1997). The number dependence of the maximum Lyapunov exponent. Physica A, 240 (1-2), 96-104. doi: 10.1016/S0378-4371(97)00133-7

The number dependence of the maximum Lyapunov exponent

1997

Journal Article

Symplectic properties of algorithms and simulation methods

Isbister, D. J., Searles, D. J. and Evans, D. J. (1997). Symplectic properties of algorithms and simulation methods. Physica A, 240 (1-2), 105-114. doi: 10.1016/S0378-4371(97)00134-9

Symplectic properties of algorithms and simulation methods

1996

Journal Article

Causality, response theory, and the second law of thermodynamics

Evans, D. J. and Searles, D. J. (1996). Causality, response theory, and the second law of thermodynamics. Physical Review E, 53 (6), 5808-5815. doi: 10.1103/PhysRevE.53.5808

Causality, response theory, and the second law of thermodynamics

1996

Journal Article

On the lifetimes of antisteady states

Searles, D. J. and Evans, D. J. (1996). On the lifetimes of antisteady states. Australian Journal of Physics, 49 (1), 39-49.

On the lifetimes of antisteady states

Current funding

  • 2024 - 2029
    ARC Research Hub in Zero-emission Power Generation for Carbon Neutrality (ARC ITRP grant administered by QUT)
    Queensland University of Technology
    Open grant
  • 2023 - 2030
    ARC Centre of Excellence for Green Electrochemical Transformation of Carbon Dioxide
    ARC Centres of Excellence
    Open grant
  • 2023 - 2026
    Integrated solar to chemical production and membrane concentration system
    ARC Linkage Projects
    Open grant

Past funding

  • 2021 - 2023
    Towards a molecular level understanding of flow-induced physical and chemical reactions
    Pawsey Centre for Extreme Scale Readiness
    Open grant
  • 2020 - 2022
    Strategic Design of Nanoarchitectured Porous Carbon and Investigation of Charging/Discharging Mechanisms in Supercapacitors for Future Energy Storage Systems
    Foundation for Australia-Japan Studies
    Open grant
  • 2020 - 2024
    New frontiers for nonequilibrium systems
    ARC Australian Laureate Fellowships
    Open grant
  • 2019 - 2022
    Sustaining and enhancing merit-based research access to the National Computational Infrastructure (ARC LIEF project administered by ANU)
    Australian National University
    Open grant
  • 2019 - 2024
    Promoting new reaction pathways with nonequilibrium flow
    ARC Discovery Projects
    Open grant
  • 2017 - 2019
    Design of Polymers for 3D Printing via Non-equilibrium Molecular Dynamics Simulation
    United States Asian Office of Aerospace Research and Development
    Open grant
  • 2016 - 2018
    Maintaining and enhancing merit-based access to the NCI National Facility (ARC LIEF project administered by The Australian National University)
    Australian National University
    Open grant
  • 2014 - 2015
    FlashLite: A High Performance Machine for Data Intensive Science
    ARC Linkage Infrastructure, Equipment and Facilities
    Open grant
  • 2014
    A parallel computer facility for modelling and simulation
    UQ Major Equipment and Infrastructure
    Open grant
  • 2014 - 2016
    Properties of nonequilibrium steady states
    ARC Discovery Projects
    Open grant
  • 2014 - 2018
    Understanding dissipation, thermal conduction and diffusion in superionic conductors using ab initio nonequilibrium molecular dynamics simulation
    ARC Discovery Projects
    Open grant
  • 2013 - 2016
    Composite Reinforcement using Boron Nitride Nanotubes
    United States Asian Office of Aerospace Research and Development
    Open grant
  • 2012 - 2013
    Computational studies of melting and the solvation properties of ionic liquids
    ARC Discovery Projects
    Open grant
  • 2012 - 2013
    Dissipation and Relaxation in Statistical Mechanics
    ARC Discovery Projects
    Open grant

Availability

Professor Debra Bernhardt is:
Available for supervision

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Supervision history

Current supervision

  • Doctor Philosophy

    Identification of New Clean Energy Storage Systems Using Molecular Simulations

    Principal Advisor

  • Doctor Philosophy

    Insight into Nonequilibrium Behaviour from Molecular Simulations

    Principal Advisor

    Other advisors: Professor Elizabeth Krenske

  • Doctor Philosophy

    Rational Design of Materials for Energy Applications using Computational Methods

    Principal Advisor

  • Doctor Philosophy

    Electrolytes and Interfaces in Rechargeable Batteries

    Principal Advisor

    Other advisors: Dr Cheng Zhang, Dr Stephen Sanderson

  • Doctor Philosophy

    Identification of New Clean Energy Storage Systems Using Molecular Simulations

    Principal Advisor

  • Doctor Philosophy

    Insight into Nonequilibrium Behaviour from Molecular Simulations

    Principal Advisor

    Other advisors: Professor Elizabeth Krenske

  • Doctor Philosophy

    Effectively predicting the properties of aqueous electrolyte solutions

    Associate Advisor

    Other advisors: Dr Tim Duignan

  • Doctor Philosophy

    New technology for computational prediction of chemical reaction outcomes

    Associate Advisor

    Other advisors: Professor Elizabeth Krenske

  • Doctor Philosophy

    Investigation of pH-dependent bacterial transporters

    Associate Advisor

    Other advisors: Professor Alan Mark

  • Doctor Philosophy

    Chemical Reactions in Confined Systems

    Associate Advisor

    Other advisors: Professor Matt Trau

  • Doctor Philosophy

    The effect of membrane composition on protein-ligand interactions in drug design and delivery

    Associate Advisor

    Other advisors: Professor Megan O'Mara

  • Doctor Philosophy

    New technology for computational prediction of chemical reaction outcomes

    Associate Advisor

    Other advisors: Professor Elizabeth Krenske

  • Doctor Philosophy

    Next-generation polymer-based solid electrolytes for advanced batteries

    Associate Advisor

    Other advisors: Dr Cheng Zhang

  • Doctor Philosophy

    New technology for computational prediction of chemical reaction outcomes

    Associate Advisor

    Other advisors: Professor Elizabeth Krenske

  • Doctor Philosophy

    New technology for computational prediction of chemical reaction outcomes

    Associate Advisor

    Other advisors: Professor Elizabeth Krenske

  • Doctor Philosophy

    Prediction of new electrolytes for improved electrical energy storage.

    Associate Advisor

    Other advisors: Dr Tim Duignan

Completed supervision

Enquiries

Contact Professor Debra Bernhardt directly for media enquiries about:

  • Computational science
  • Molecular science
  • Theoretical science
  • Thermodynamics

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