Neil Drummond

Name:	Neil Drummond
Affiliation:	Lancaster University
E-mail:	(only provided to users who are logged into talks.cam)
Last login:	3 Oct 2010, 10:59 a.m.

Public lists managed by Neil Drummond

Talks given by Neil Drummond

Obviously this only lists talks that are listed through talks.cam. Furthermore, this facility only works if the speaker's e-mail was specified in a talk. Most talks have not done this.

• Trions and Biexcitons in Two-Dimensional Semiconductors
• First-principles study of a positron immersed in an electron gas
• Quasiparticle effective mass of the two-dimensional homogeneous electron gas

Talks organised by Neil Drummond

This list is based on what was entered into the 'organiser' field in a talk. It may not mean that Neil Drummond actually organised the talk, they may have been responsible only for entering the talk into the talks.cam system.

• Distinguishing weak hydrogen bonding with NMR
• Statistical errors and application to QMC
• Structural assignments of NMR chemical shifts in Ge_xSe_(1-x) glasses through first-principles calculations for GeSe_2, Ge_4Se_9, and GeSe crystals
• VMC sampling efficiency
• Title to be confirmed
• DFT mapping of the reaction cavity in photolinkage isomerism complexes
• Lattice dynamics of mercury (II) iodide
• Title to be confirmed
• Dynamical effects in ab initio NMR calculations
• Non-Hamiltonian quantum mechanics: some simple ideas
• QMC in Slater determinant space
• Pressure-induced metallisation / superconductivity of hydrogen-dominant materials
• Title to be confirmed
• Optimising stoichiometries using ab initio random structure searching
• DFT trial wave functions for molecular QMC calculations
• Protein binding affinities from first principles
• Matching models across length scales
• Anomalous dispersion interactions between semiconducting wires
• Multigrid method for density functional theory
• Dynamical relaxation to quantum equilibrium
• Open Innovation - the future of scientific software engineering?
• First-principles study of a positron immersed in an electron gas
• Textures of the polarisation field in ferroelectric nanowires
• Exchange, antisymmetry, and Pauli repulsion
• Post-Cotunnite phase of TeO2
• First-principles NMR study for Ge-O-Ge angle in vitreous GeO2
• Error cancellation in atomisation and chemical-reaction energies
• QMC studies of first row atoms and ions
• An adaptive QM/MM molecular dynamics scheme for reactions in solution
• Self-consistent treatment of local correlation effects in magnetic nanostructures with ONETEP
• The transport mechanism of mitochondrial carriers based on an analysis of symmetry
• More random results from structure searching
• Modelling proteins using coarse-grained techniques
• Some ideas for calculating phase diagrams for interacting electrons
• QMC and the 1D electron gas
• Understanding anomalous thermal expansion and negative thermal expansion
• Title to be confirmed
• A general backflow transformation
• Localisation tensor
• Diffusion Monte Carlo: exponentially inefficient for large systems?
• Game of Life in Slater determinant space
• The corrective potential method for ab initio solvation models
• Bulk diffusion in alumina: solving the corundum conundrum
• First-principles study of a quasicrystalline molecular material
• Bridging the gap: Gaussian Approximation Potential
• The corrective potential method for ab initio solvation models
• Title to be confirmed
• Title to be confirmed
• Surface acidity from first principles: the water-quartz interface
• Title to be confirmed
• Quasiparticle effective mass of the two-dimensional homogeneous electron gas
• ONETEP-PBSA: Application to G-quadruplex DNA stability
• BEC-BCS crossover in ultracold atoms using quantum Monte Carlo (2 years later...)
• A Gaussian approximation potential for metals
• Quantum critical itinerant ferromagnetism
• Accelerating large DFT calculations using auxiliary density functionals
• Liquid argon from first principles, a suicidal choice of project
• Title to be confirmed
• Dynamics of solid catalytic particles during carbon nanotube growth
• Title to be confirmed
• Intermolecular interactions using perturbation theory
• Coming soon to the HPCS...
• All-electron quantum Monte Carlo using Slater-type orbitals
• Point defects in alumina
• Linear scaling algorithms: applicability, accuracy and scalable implementation
• Efficient factorisation of the nonlocal van der Waals density functional
• DFT exploration of photoinduced linkage isomers
• Empirical pseudopotentials?
• Bending modes, elastic constants and mechanical stability of graphitic systems
• An adaptive QM/MM molecular dynamics scheme for reactions in solutions
• O(N) DFT+U with ONETEP - Towards a linear-scaling ab initio treatment of local correlation effects
• Currents in carbon nanotubes
• Band-resolved analysis of linear and nonlinear optical properties
• A general Jastrow factor
• What I did on my summer holidays: graphene-based solution gate FETs as pH sensors
• QMC calculations on biexcitons in bilayer systems
• Determining the atomic structure of an amyloid fibril
• Minimal parameter implicit solvent model for electronic structure calculations
• A QMC study of the homogeneous electron gas
• Phonon renormalisation and electron-phonon coupling in doped single- and bi-layer graphene
• Modeling the oxidation of supported clusters in nanocatalysis and nanotribology by density functional theory
• Atomic espionage: J-resolved NMR spectroscopy
• Another look at pilot wave theory