Neil Drummond

Name:	Neil Drummond
Affiliation:	Lancaster University
E-mail:	(only provided to users who are logged into talks.cam)
Last login:	Sun Oct 03 10:59:11 +0000 2010

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
• DFT mapping of the reaction cavity in photolinkage isomerism complexes
• Title to be confirmed
• Lattice dynamics of mercury (II) iodide
• Dynamical effects in ab initio NMR calculations
• Title to be confirmed
• 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