Ruslan L Davidchack

Professor of Mathematical Modelling and Computation

Department of Mathematics

108 College House, University of Leicester, Leicester, LE1 7RH

Telephone: +44 (0)116 252 3819
Email: rld8@leicester.ac.uk

Personal details

On Maths and Music

Research

My research interests are in developing computational methods and tools for applications in molecular simulations, nonlinear dynamics, and signal processing.

Molecular simulation

• Structural and dynamic properties of solid-liquid interfaces

• Calculating free energy of solid-liquid interfaces

• Estimating thermodynamic errors of numerical integrators for molecular dynamics

Nonlinear dynamics

• Methods for locating unstable periodic orbits in chaotic dynamical systems

• Symbolic dynamics, generating partitions, and homoclinic tangencies in non-hyperbolic chaotic systems

• Transition to chaos with multiple positive Lyapunov exponents (sometimes called "hyper-chaos")

• Chaotic transitions in semiconductor lasers subject to delayed optical feedback

Measurements and data processing

• Analog representation of a measurement process

• Implementation of nonlinear filters for continuous measurement processes

Websites

Google Scholar profile

Teaching

MA3012/MA7012 Scientific Computing

Office hours: Monday and Tuesday, 11.00am-12.00pm

Publications

Davidchack RL, Laird BB, and Roth R
Hard spheres at a planar hard wall: Simulations and density functional theory
CONDENSED MATTER PHYSICS 19 (2): Art. No. 23001 MAR 2016
(Invited Article, Special Issue: Tony Haymet Festschrift)

Davidchack RL, Laird BB, and Roth R
Parameterising the surface free energy and excess adsorption of a hard-sphere fluid at a planar hard wall
MOLECULAR PHYSICS 113 (9-10): 1091-1096 MAY 19 2015
(Invited Article)

Davidchack RL, Ouldridge TE, Tretyakov MV
New Langevin and gradient thermostats for rigid body dynamics
JOURNAL OF CHEMICAL PHYSICS 142 (14): Art. No. 144114 APR 14 2015

Budanur NB, Cvitanović P, Davidchack RL, and Siminos E
Reduction of SO(2) Symmetry for Spatially Extended Dynamical Systems
PHYS REV LETT 114 (8): Art. No. 084102 FEB 27 2015

Nikitin AV, Davidchack RL, and Smith JE
Out-of-band and adjacent-channel interference reduction by analog nonlinear filters
EURASIP JOURNAL ON ADVANCES IN SIGNAL PROCESSING 2015: Art. No.12 FEB 15 2015

Liu J, Davidchack RL, and Dong HB
Molecular dynamics calculation of solid-liquid interfacial free energy and its anisotropy during iron solidification
COMPUTATIONAL MATERIALS SCIENCE 74: 92-100 JUN 2013

Mingming Tong, Gregory Duggan, Jun Liu, Yu Xie, Mike Dodge, Lee Aucott, Hongbiao Dong, Ruslan L. Davidchack, Jon Dantzig, Olga Barrera, Alan C.F. Cocks, Hiroto Kitaguchi, Sergio Lozano-Perez, Chuangxin Zhao, Ian Richardson, Anton Kidess, Chris R. Kleijn, Shuwen Wen, Roger Barnett, David J. Browne
Multiscale, Multiphysics Numerical Modeling of Fusion Welding with Experimental Characterization and Validation
JOM 65 (1): 99-106 JAN 2013

Laird BB, Hunter A, and Davidchack RL
Interfacial free energy of a hard-sphere fluid in contact with curved hard surfaces
PHYSICAL REVIEW E 86 (6): Art. No. 060602(R) DEC 20 2012

Davidchack RL, Handel R, Anwar J, and Brukhno AV
Ice I_h - Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions
J CHEM THEORY COMPUT 8 (7): 2383-2390 JUL 2012

Ding LF, Davidchack RL, and Pan JZ
A molecular dynamics study of Young’s modulus change of semi-crystalline polymers during degradation by chain scissions
JOURNAL OF THE MECHANICAL BEHAVIOR OF BIOMEDICAL MATERIALS  5 (1):  224-230 JAN 2012

Davidchack RL
Hard spheres revisited: Accurate calculation of the solid–liquid interfacial free energy
JOURNAL OF CHEMICAL PHYSICS 133 (23): Art. No. 234701 DEC 16 2010

Davidchack RL
Discretization errors in molecular dynamics simulations with deterministic and stochastic thermostats
JOURNAL OF COMPUTATIONAL PHYSICS 229 (24): 9323–9346 SEP 15 2010

Laird BB and Davidchack RL
Calculation of the interfacial free energy of a fluid at a static wall by Gibbs–Cahn integration
JOURNAL OF CHEMICAL PHYSICS 132 (20): Art. No. 204101 MAY 24 2010

Cvitanović P, Davidchack RL, and Siminos E
On the State Space Geometry of the Kuramoto–Sivashinsky Flow in a Periodic Domain
SIAM J APPL DYN SYST 9 (1): 1-33 JAN 6 2010

Crofts JJ and Davidchack RL
On the use of stabilizing transformations for detecting unstable periodic orbits in high-dimensional flows
CHAOS 19 (3): 033138 SEP 17 2009

Laird BB, Davidchack RL, Yang Y, and Asta M
Determination of the solid-liquid interfacial free energy along a coexistence line by Gibbs-Cahn integration
JOURNAL OF CHEMICAL PHYSICS 131 (11): Art. No. 114110 SEP 18 2009

Davidchack RL, Handel R, and Tretyakov MV
Langevin thermostat for rigid body dynamics
JOURNAL OF CHEMICAL PHYSICS 130 (23): Art. No. 234101 JUN 15 2009 (Issue cover image)

Ding LF, Davidchack RL, and Pan JZ
A molecular dynamics study of sintering between nanoparticles
COMPUTATIONAL MATERIALS SCIENCE 45 (2): 247-256 APR 2009

Brukhno A, Anwar J, Davidchack R, and Handel R
Challenges in molecular simulation of homogeneous ice nucleation
JOURNAL OF PHYSICS-CONDENSED MATTER 20 (49): Art. No. 494243 DEC 10 2008

Handel R, Davidchack RL, Anwar J, and Brukhno A
Direct Calculation of Solid-Liquid Interfacial Free Energy for Molecular Systems: TIP4P Ice-Water Interface
PHYS REV LETT 100 (3): Art. No. 036104 JAN 25 2008

Laird BB and Davidchack RL
Wall-Induced Prefreezing in Hard Spheres: A Thermodynamic Perspective
JOURNAL OF PHYSICAL CHEMISTRY C 111 (43): 15952-15956  NOV 1 2007 (Keith E. Gubbins Festschrift)

Davidchack RL, Morris JR, and Laird BB
The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuations
JOURNAL OF CHEMICAL PHYSICS 125 (9): Art. No. 094710 SEP 7 2006

Crofts JJ and Davidchack RL
Efficient Detection of Periodic Orbits in Chaotic Systems by Stabilizing Transformations
SIAM J SCI COMPUT 28 (4): 1275-1288 JUL 31 2006

Laird BB and Davidchack RL
Direct calculation of the crystal-melt interfacial free energy via molecular dynamics computer simulation
JOURNAL OF PHYSICAL CHEMISTRY B 109 (38): 17802-17812 SEP 29 2005 (Feature Article)

Davidchack RL and Laird BB
Crystal structure and interaction dependence of the crystal-melt interfacial free energy
PHYS REV LETT 94 (8): Art. No. 086102 MAR 4 2005

Nikitin AV and Davidchack RL
Adaptive approximation of feedback rank filters for continuous signals
SIGNAL PROCESSING 84 (4): 805-811 APR 2004

Nikitin AV and Davidchack RL
Signal analysis through analog representation
P ROY SOC LOND A MAT 459 (2033): 1171-1192 MAY 8 2003

Davidchack RL and Laird BB
Direct calculation of the crystal-melt interfacial free energies for continuous potentials: Application to the Lennard-Jones system
J CHEM PHYS 118 (16): 7651-7657 APR 22 2003

Nikitin AV, Davidchack RL, and Armstrong TP
Analog multivariate counting analyzers
NUCL INSTRUM METH A 496 (2-3): 465-480 JAN 11 2003

Davidchack RL, Lai YC, Klebanoff A, and Bollt EM 
Towards complete detection of unstable periodic orbits in chaotic systems
PHYS LETT A 287 (1-2): 99-104 AUG 20 2001

Davidchack RL, Lai YC, Gavrielides A, and Kovanis V
Regular dynamics of low-frequency fluctuations in external cavity semiconductor lasers
PHYS REV E 63 (5): 056206 MAY 2001

Davidchack RL and Laird BB
Direct calculation of the hard-sphere crystal/melt interfacial free energy
PHYS REV LETT 85 (22): 4751-4754 NOV 27 2000

Davidchack RL, Lai YC, Gavrielides A, and Kovanis V
Chaotic transitions and low-frequency fluctuations in semiconductor lasers with optical feedback
PHYSICA D 145 (1-2): 130-143 OCT 15 2000

Davidchack R and Lai YC
Characterization of transition to chaos with multiple positive Lyapunov exponents by unstable periodic orbits
PHYS LETT A 270 (6): 308-313 JUN 12 2000

Davidchack RL, Lai YC, Gavrielides A, and Kovanis V
Dynamical origin of low frequency fluctuations in external cavity semiconductor lasers
PHYS LETT A 267 (5-6): 350-356 MAR 27 2000

Andrade V, Davidchack RL, and Lai YC
Noise scaling of phase synchronization of chaos
PHYS REV E 61 (3): 3230-3233 MAR 2000

Davidchack RL, Lai YC, Bollt EM, and Dhamala M
Estimating generating partitions of chaotic systems by unstable periodic orbits
PHYS REV E 61 (2): 1353-1356 FEB 2000

Davidchack RL and Lai YC
Efficient algorithm for detecting unstable periodic orbits in chaotic systems
PHYS REV E 60 (5): 6172-6175 Part B NOV 1999

Davidchack RL and Laird BB
Molecular dynamics simulation of binary hard sphere crystal/melt interfaces
MOL PHYS 97 (7): 833-839 OCT 10 1999

Davidchack RL and Laird BB
Weighted-density approximation for general nonuniform fluid mixtures
PHYS REV E 60 (3): 3417-3420 SEP 1999

Frei MG, Davidchack RL, and Osorio I
Least squares acceleration filtering for the estimation of signal derivatives and sharpness at extrema
IEEE T BIO-MED ENG 46 (8): 971-977 AUG 1999

Davidchack RL and Laird BB
Simulation of the hard-sphere crystal-melt interface
J CHEM PHYS 108 (22): 9452-9462 JUN 8 1998

Nikitin AV, Davidchack RL, and Armstrong TP
The effect of pulse pile-up on threshold crossing rates in a system with a known impulse response
NUCL INSTRUM METH A 411 (1): 159-171 JUL 1 1998

Nikitin AV, Davidchack RL, and Armstrong TP
Many-fold coincidence pileup in silicon detectors: Solar X-ray response of charged particle detector systems for space
NUCL INSTRUM METH A 386 (2-3): 431-438 FEB 21 1997

Davidchack RL and Laird BB
Simulation of the binary hard-sphere crystal/melt interface
PHYS REV E 54 (6): R5905-R5908 DEC 1996

Davidchack RL, Wong KW, and Fung PCW
Evidence for mixed-charge state from the normal-phase transport properties of cuprate superconductors
PHYS LETT A 223 (4): 289-294 DEC 9 1996

Wong KW and Davidchack RL
Gauge-invariance in a superconducting mixed charge system
PHYS LETT A 208 (1-2): 171-175 NOV 20 1995