These books convey his research interests. He has been associated with chemists, physicists, mathematicians, materials scientists, engineers, and computer scientists of Schlumberger, Molecular Simulations Inc. (MSI) now Accelrys and Silicon Graphics Inc. (SGI), often using their computation facilities, as well as those of UK National Supercomputing Facility at Manchester, and the University of Cambridge High Performance Computing Facility.
The CCS is using a highly scalable molecular dynamics code: Large Atomic/Molecular Massively Parallel Simulator (LAMMPS). The code was originally developed as part of a US-based collaboration involving Sandia and Lawrence Livermore National Laboratories, Du Pont, Bristol-Myers Squibb and Cray Research. CCS is collaborating with Charles Laughton's group at the University of Nottingham on applications of this code to large scale studies of DNA dynamics. He successfully challenged the EU to launch the CompMedBio initiative. In doing this, he launched a critique of Big Data in biology with Ed Dougherty of Texas A&M and Roger Highfield.
Coveney's specialities include
- Modelling of complex nonlinear physicochemical processes
- Molecular-scale computational chemistry
- Mesoscale modelling and simulation
- Chemical kinetics and Statistical mechanics of these processes
- Coveney, Peter V (1985). Semiclassical methods in scattering and spectroscopy (DPhil thesis). University of Oxford.
- Highfield, Roger; Coveney, Peter (1991). The arrow of time: the voyage through science to solve time's greatest mystery. London: Flamingo. ISBN 0-00-654462-2.
- Highfield, Roger; Coveney, Peter (1995). Frontiers of complexity: the search for order in a chaotic world. London: Faber. ISBN 0-571-17922-3.
- Coveney, P.; Novik, K. (1996). "Computer simulations of domain growth and phase separation in two-dimensional binary immiscible fluids using dissipative particle dynamics". Physical Review E. 54 (5): 5134. Bibcode:1996PhRvE..54.5134C. doi:10.1103/PhysRevE.54.5134.
- Jha, S.; Coveney, P. V.; Laughton, C. A. (2005). "Force field validation for nucleic acid simulations: Comparing energies and dynamics of a DNA dodecamer". Journal of Computational Chemistry. 26 (15): 1617–1627. PMID 16170796. doi:10.1002/jcc.20300.
- Grindon, C.; Harris, S.; Evans, T.; Novik, K.; Coveney, P.; Laughton, C. (2004). "Large-scale molecular dynamics simulation of DNA: Implementation and validation of the AMBER98 force field in LAMMPS". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 362 (1820): 1373–1386. Bibcode:2004RSPTA.362.1373G. PMID 15306456. doi:10.1098/rsta.2004.1381.
- Callaway, Ewen (2016). "How one lab challenged a grant rejection and won €5 million". Nature. 532 (7598): 159. doi:10.1038/nature.2016.19714.
- Coveney, P. V.; Dougherty, E. R.; Highfield, R. R. (2016). "Big Data need Big Theory too". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 374 (2080): 1373–1386. doi:10.1098/rsta.2016.0153.
- Flekkøy, E.; Coveney, P. (1999). "From Molecular Dynamics to Dissipative Particle Dynamics". Physical Review Letters. 83 (9): 1775. Bibcode:1999PhRvL..83.1775F. arXiv: . doi:10.1103/PhysRevLett.83.1775.