Talk archive


The Apuan Alps Centre for Physics in Vallico Sotto opened for business in 2004. Here are the slides for pretty much every talk about quantum Monte Carlo and related topics that has ever been given there since that time. Enjoy!

Quantum Monte Carlo in the Apuan Alps IX – 2014

Dario Alfè (d.alfe at ucl.ac.uk)

  • “Water clusters, ice, and bulk liquid: improving ab initio structure and energetics” [PDF]

Ron Cohen (ronald.cohen at ucl.ac.uk)

  • “Quantum Monte Carlo simulations on silicate perovskite and other high pressure phases” [PDF]

Gareth Conduit (gjc29 at cam.ac.uk)

  • “Pseudizing the Hamiltonian” [PDF]

Csaba Daday (dadaycs at gmail.com)

  • “Wave function embedding methods and excited states: a guide to the perplexed” [PDF]

Andrea Droghetti (drogheta at tcd.ie)

  • “Spin-crossover molecules: puzzling systems for electronic structure methods” [PDF]

Neil Drummond (n.drummond at lancaster.ac.uk)

  • “Electronic and vibrational properties of monolayer hexagonal indium chalcogenides” [PDF]

Edgar Engel (eae32 at cam.ac.uk)

  • “Anharmonic nuclear motion and the relative stability of hexagonal and cubic ice” [PDF]

Leonardo Guidoni (l.guidoni at gmail.com)

  • “Geometries and properties of (bio)molecules by quantum Monte Carlo” [PDF]

qmc14p

Nic Harrison (nicholas.harrison at imperial.ac.uk)

  • “Describing strong interactions – some outstanding problems”

Kenta Hongo (kenta_hongo at mac.com)

  • “QMC applications to noncovalent interactions in cyclohexasilane dimers” [PDF]

Martin Korth (martin.korth at uni-ulm.de)

  • “On the hunt for molecular organic battery materials” [PDF]

Jonathan Lloyd-Williams (jhl50 at cam.ac.uk)

  • “DFT and QMC calculations of solid molecular hydrogen” [PDF]

Pierre-Francois Loos (loos at rsc.anu.edu.au)

  • “Chemistry in a 1D world” [PDF]

Pablo López Ríos (pl275 at cam.ac.uk)

  • “Multideterminant compression algorithm for quantum Monte Carlo” [PDF]

Ryo Maezono (rmaezono at mac.com)

  • “Embedded atom into jellium sphere” [PDF]

Fionn Malone (f.malone13 at imperial.ac.uk)

  • “Parallel strategies for FCIQMC” [PDF]

Mariapia Marchi (marchi at esteco.com)

  • “Using modeFRONTIER to automate DFT and QMC calculations: application to liquid hydrogen” [PDF]

Bartomeu Monserrat Sanchez (bm418 at cam.ac.uk)

  • “An overview of vibrations in solids” [PDF]

Elaheh Mostaani (emostaani at gmail.com)

  • “Binding energy of bilayer graphene (updated) and electronic properties of oligoynes” [PDF]

Richard Needs (rn11 at cam.ac.uk)

  • “Xenon oxides under pressure” [PDF]

Carlo Pierleoni (carlo.pierleoni at aquila.infn.it)

  • “Liquid-liquid phase transition in high pressure hydrogen: new predictions from CEIMC and comparison with DFT”

Tom Poole (thomas.poole10 at imperial.ac.uk)

  • “Algorithmic differentiation of diffusion Monte Carlo”

Sandro Sorella (sorella at sissa.it)

  • “Ab initio simulation of liquid water by quantum Monte Carlo” [PDF]

James Spencer (j.spencer at imperial.ac.uk)

  • “An overview of the HANDE QMC project” [PDF]

Alex Thom (ajwt3 at cam.ac.uk)

  • “FCIQMC and finite electron gases” [PDF]

Mike Towler (mdt26 at cam.ac.uk)

  • “High-throughput QMC” [PDF]
    (Missing 5 slides near the end – to be reconstructed.)

John Trail (jrt32 at cam.ac.uk)

  • “Pseudopotentials for correlated electron systems” [PDF]

Cyrus Umrigar (cyrusumrigar at gmail.com)

  • “Semistochastic quantum Monte Carlo: a hybrid of exact diagonalization and quantum Monte Carlo methods” [PDF]

Tack Uyeda (tueeeda at jaist.ac.jp)

  • “Estimation of exchange interaction of SrMnO3 by QMC”

William Vigor (w.vigor11 at imperial.ac.uk)

  • “Unloading the dice: minimising biases in full configuration interaction quantum Monte Carlo” [PDF]

Ching-Ming Wei (cmw at phys.sinica.edu.tw)

  • “Binding energy of 2D materials using QMC” [PDF]

Quantum Monte Carlo in the Apuan Alps VIII – 2013

Dario Alfè (d.alfe at ucl.ac.uk)

  • “Graphene on Ir(111): growth and thermodynamics from combined experimental and theoretical methods”

Alberto Ambrosetti (ambrosetti at fhi-berlin.mpg.de)

  • “Long range correlation energy from isotropically damped Quantum harmonic oscillators” [PDF]

Sam Azadi (s.azadi at imperial.ac.uk)

  • “Quantum Monte Carlo study of high-pressure solid hydrogen” [PDF]

Anouar Benali (abenali at alcf.anl.gov)

  • “Quantum Monte Carlo calculations of many-body van der Waals forces in rare gas crystals and biomolecules” [PDF]

Pascal Bugnion (pob24 at cam.ac.uk)

  • “Spins, superfluidity, and ultracold atomic gases” [PDF]

Mauro Causà (mauro.causa at unina.it)

  • “Correlated maximum probability domains in crystals” [PPT]

Gareth Conduit (gjc29 at cam.ac.uk)

  • “Concurrent materials design” [PDF] (password protected)

Mike Deible (mjd87 at pitt.edu)

  • “Quantum Monte Carlo studies of water clusters and water-acene complexes” [PDF]

Andrea Droghetti (drogheta at tcd.ie)

  • “A DFT+model Hamiltonian approach to zero-bias transport in nanostructures: work in progress” [PDF]

Neil Drummond (n.drummond at lancaster.ac.uk)

  • “Electronic structure of two-dimensional crystals of hexagonal boron nitride” [PDF]

Elif Ertekin (ertekin at illinois.edu)

  • “QMC for point defects in semiconductors and wide-band gap oxides” [PDF]

Matthew Foulkes (wmc.foulkes at imperial.ac.uk)

  • “Forces and correlated sampling in DMC” [PDF]

Mike Gillan (m.gillan at ucl.ac.uk)

  • “Quantum Monte Carlo benchmarks for weak non-covalent interactions” [PPTX]

Richard Hennig (rhennig at cornell.edu)

  • “Computational discovery and design of materials for energy technologies and electronic devices”

Kenta Hongo (kenta_hongo at mac.com)

  • “Finite-size effects in diffusion Monte Carlo simulations of para-diiodobenzene” [PDF] (password required)

Ken Jordan (jordan at imap.pitt.edu)

  • “Quantum Monte Carlo studies of correlation-bound anions and of organic diradicals” [PPT]
  • “Proton disorder in ice”

Pierre-Francois Loos (loos at rsc.anu.edu.au)

  • “Uniform electron gases: electrons on a ring” [PDF]

Matthew Lyle (mjl78 at cam.ac.uk)

  • “Low density nanocrystalline alumina” [PDF] (password protected)

Ryo Maezono (rmaezono at mac.com)

  • “Studies of electron-hole systems using DMC” [PDF]

Natalia Matveeva (matveeva.na at gmail.com)

  • “Localization of an impurity in a bilayer system of dipoles” [PDF]

Bartomeu Monserrat Sanchez (bm418 at cam.ac.uk)

  • “White dwarf cooling: electron-phonon coupling and the metallization of solid helium” [PDF]

Elaheh Mostaani (emostaani at gmail.com)

  • “Binding energy of bilayer graphene” [PDF]

Tim Mueller (tmueller at jhu.edu)

  • “Quantum Monte Carlo for materials design” [PDF]

Richard Needs (rn11 at cam.ac.uk)

  • “Decomposition and terapascal phases of water ice” [PDF]

Luke Shulenburger (lshulen at sandia.gov)

  • “Status of DMC for condensed phases” [PDF]

James Spencer (j.spencer at imperial.ac.uk)

  • “Full configuration interaction quantum Monte Carlo and coupled cluster Monte Carlo: a framework for stochastic quantum chemistry.” [PDF]

Alex Thom (ajwt3 at cam.ac.uk)

  • “Linked stochastic coupled cluster theory” [PDF]

Alexandre Tkatchenko (tkatchen at fhi-berlin.mpg.de)

  • “Explicit many-body van der Waals corrections to DFT, and how QMC can help to develop them” [PDF]

Tack Uyeda (tueeeda at jaist.ac.jp)

  • “Ohmic contact on diamond semiconductors” [PPTX]

William Vigor (w.vigor11 at imperial.ac.uk)

  • “Accelerating Full Configuration Interaction Quantum Monte Carlo” [PDF]

Anatole von Lilienfeld (anatole at alcf.anl.gov)

  • “Preaching on first principles views on chemical compound space, atom-centered potentials, and statistical learning” [PDF]

Lucas Wagner (lkwagner at illinois.edu)

  • “Can we understand the high-Tc superconducting cuprates from first principles?” [PDF]

Quantum Monte Carlo in the Apuan Alps VII – 2012

Mike Gillan (m.gillan at ucl.ac.uk)

  • “DFT troubles with water? QMC to the rescue!” [PPTX]

Lucas Wagner (lkwagner at illinois.edu)

  • “Correlations in strongly-correlated materials” [PDF]

Benoit Braida (braida at lct.jussieu.fr)

  • “A valence bond / quantum Monte Carlo study of ‘pancake’ bonding” [PDF]

Sandro Sorella (sorella at sissa.it)

  • “Recent results on the Hubbard model by quantum Monte Carlo and petaflops supercomputers” [PDF]

Matthew Foulkes (wmc.foulkes at imperial.ac.uk)

  • “Density matrix full-configuration interaction QMC” [PDF]

James Spencer (j.spencer at imperial.ac.uk)

  • “The sign problem in FCIQMC and other short stories” [PDF]

Alex Thom (a.thom at imperial.ac.uk)

  • “Stochastic coupled cluster theory” [PDF]

Dario Bressanini (dario.bressanini at uninsubria.it)

  • “Fishing for positronic compounds” [PPT]

Mariapia Marchi (marchi at esteco.com)

  • “ESTECO” [PDF]
  • “Optimization tools beyond QMC” [PDF] (password required)

James Shepherd (js615 at cam.ac.uk)

  • “A full configuration interaction (quantum Monte Carlo) perspective on the 3D homogeneous electron gas” [PDF]

Alston Misquitta (am592 at cam.ac.uk)

  • “Finite-size effects in molecule-surface adsorption” [PDF]

Martin Korth (martin.korth at uni-ulm.de)

  • “Computational high-throughput screening of advanced battery electrolyte solvents” [PDF]

Bartomeu Monserrat-Sanchez (bm418 at cam.ac.uk)

  • “Phonon wave functions and electron-phonon interactions in semiconductors” [PDF]

Andrea Droghetti (drogheta at tcd.ie)

  • “First principles studies of spin-crossover molecules” [PDF]

Ching-Ming Wei (cmw at phys.sinica.edu.tw)

  • “Materials simulations using quantum Monte Carlo” [PDF]

Sebastiano Saccani (ssaccani at sissa.it)

  • “Soft-potential supersolids” [PDF]

Saverio Moroni (saveriomoroni at gmail.com)

  • “Two-dimensional 3He” [PDF]

Dominik Domin (domindominik at gmail.com)

  • “Potential energy surfaces with quantum Monte Carlo” [PDF] – (password required)

Mike Towler (mdt26 at cam.ac.uk)

  • “Massively-parallel QMC calculations: CPUs, GPUs, and DMC molecular dynamics” [PDF]

Ryo Maezono (rmaezono at mac.com)

  • “GPGPU acceleration of CASINO blip routine” [PDF] (password required)

Dario Alfe (d.alfe at ucl.ac.uk)

  • “Thermal and electrical conductivity of the Earth’s core” [PDF]

Neil Drummond (n.drummond at lancaster.ac.uk)

  • “Quantum Monte Carlo calculations of the Fermi liquid parameters of the 2D homogeneous electron gas” [PDF]

Stefano Baroni (baroni at sissa.it)

  • “Classical transition rates and quantum tunnelling splitting from path-integral Monte Carlo”

Pablo López Ríos (pl275 at cam.ac.uk)

  • “Phase diagram of the symmetric electron-hole bilayer” [PDF]
  • “Framework for constructing generic Jastrow correlation factors” [PDF]

Sam Azadi (s.azadi at imperial.ac.uk)

  • “Quantum Monte Carlo study of high-pressure solid molecular hydrogen” [PDF]

Pascal Bugnion (pob24 at cam.ac.uk)

  • “The Geminal-Jastrow wave function in bulk materials” [PDF]

Kenta Hongo (kenta_hongo at mac.com)

  • “A quantum Monte Carlo study of noncovalent interactions” [PPT]

2011

No conference

Quantum Monte Carlo in the Apuan Alps VI – 2010

Dario Alfè (d.alfe at ucl.ac.uk)

  • “Surface free energies and absolute rate of desorption from quantum Monte Carlo”

Claudio Amovilli (amovilli at dcci.unipi.it)

  • “Chemistry of nitrosamine: a QMC study of the thermal de-NOx process” [PDF]
    “Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory” [PDF]

Michal Bajdich (bajdichm at ornl.gov)

  • “Spherical jellium with impurity, and, self-healing QMC for atoms and molecules” [PDF]

Dario Bressanini (dario.bressanini at uninsubria.it)

  • “Boranes and azaborane with QMC” [PPT]

Michele Casula (casula at cpht.polytechnique.fr)

  • “Quantum Monte Carlo methods as an exact route to correlated regimes in 1D systems” [PDF]

Hai-Ping Cheng (cheng at qtp.ufl.edu)

  • “Studying metal clusters by quantum Monte Carlo method” [PDF]

Neil Drummond (ndd21 at cam.ac.uk)

  • “First-principles study of a positron immersed in an electron gas” [PDF]

Elif Ertekin (elif1 at mit.edu)

  • “Confessions of a materials scientist: defect behaviour of strontium titanate” [PDF]

Matthew Foulkes (wmc.foulkes at imperial.ac.uk)

  • “Experiment with Alavi’s FCI-QMC method” [PDF]

Rex Godby (rwg3 at york.ac.uk)

  • “Quantum transport: electron-electron and electron-phonon effects” [PDF]

Richard Hennig (rhennig at cornell.edu)

  • “Quantum Monte Carlo for point defects in Si and ZnO semiconductors”

Martin Korth (mkorth at muenster.de)

  • “Accurate thermochemistry with fixed-node diffusion Monte Carlo” [PDF]

Henry Krakauer (hxkrak at wm.edu)

  • “Auxiliary-field QMC for quantum chemistry: recent progress and open issues” [PDF]

Jaron Krogel (jkrogel2 at illinois.edu)

  • “Hunting anomalous excitations in bcc helium-4” [PPT]

Robert Lee (rml38 at cam.ac.uk)

  • “Random errors and outliers in QMC” [PDF]

Pablo López Ríos (pl275 at cam.ac.uk)

  • “VMC sampling efficiency” [PDF]

Arne Lüchow (luechow at rwth-aachen.de)

  • “Efficient multi-reference DMC and insight from QMC” [PDF]

Ryo Maezono (rmaezono at mac.com)

  • “Weak interactions treated by DMC” [PDF]

Mariapia Marchi (marchi at sissa.it)

  • “The spin susceptibility enhancement in wide AlAs quantum wells” [PDF]

Alston Misquitta (am592 at cam.ac.uk)

  • “Many-body dispersion interactions between semiconducting wires” [PDF]

Saverio Moroni (saveriomoroni at gmail.com)

  • “Energy derivatives in fixed-node QMC: unbiased estimates with finite variance” [PDF]

Richard Needs (rn11 at cam.ac.uk)

  • “Pseudopotentials for QMC” [PDF]“Materials at terapascal pressures” [PDF]

Fernando Reboredo (reboredofa at ornl.gov)

  • “New developments in self-healing diffusion Monte Carlo”
    (NOT AVAILABLE – here is a preprint on the same subject.)

Katie Schwarz (kaschwar at gmail.com)

  • “Quantum Monte Carlo backflow calculations of benzene dimers” [PDF]

Gaetano Senatore (g.m.senatore at gmail.com)

  • “Valley susceptibility of quasi-2D electrons in AlAs quantum wells”

Priyanka Seth (ps479 at cam.ac.uk)

  • “QMC studies of the first-row atoms and ions, continued..” [PDF]

Simone Taioli (ucfbsta at ucl.ac.uk)

  • “SURPRISES: when ab initio meets statistics in extended systems” [PDF]

Mike Towler (mdt26 at cam.ac.uk)

  • “The magic of moving nodes” [PDF]Accompanying video [GIF]

John Trail (jrtrail at jaist.ac.jp)

  • “Some estimates in variational quantum Monte Carlo” [PDF]

Norm Tubman (tubman1 at llnl.gov)

  • “Release node for small molecules” [PPT]

Lucas Wagner (lkwagner at mit.edu)

  • “Open source quantum Monte Carlo and an application to metal hydride clusters” [PDF]

Quantum Monte Carlo in the Apuan Alps V – 2009

Dario Alfè (d.alfe at ucl.ac.uk)

  • “Water graphene binding energy curve from diffusion Monte Carlo” [PPT]

George Booth (ghb24 at cam.ac.uk)

Michel Caffarel (michel.caffarel at gmail.com)

  • “A new type of trial wave function for electronic structure calculations with QMC” [PDF]

Michele Casula (casula at cpht.polytechnique.fr)

  • “Hexatic and mesoscopic phases in the 2D quantum Coulomb system” [PDF]

Roberto Dovesi (roberto.dovesi at unito.it)

  • “State of the art in the ab initio treatment of crystalline solids with a local basis set. The case of the CRYSTAL code, and its CRYSCOR son.” [PPT 1], [PDF 2]

Neil Drummond (ndd21 at cam.ac.uk)

  • “Quasiparticle effective mass of the 2D homogeneous electron gas” [PDF]

Ken Esler (esler at uiuc.edu)

  • “Recent developments in QMC for periodic systems” [PDF]

Matthew Foulkes (wmc.foulkes at imperial.ac.uk)

  • “Point defects and diffusion in alumina” [PDF]

Gareth Griffiths (gigg2 at cam.ac.uk)

  • “Post-cotunnite phase of TeO2 from random structure searching” [PDF]

Martin Korth (mkorth at muenster.de)

  • “‘Mindless’ QMC benchmarking” [PDF]

Martin Krupicka (chemmakr at savba.sk)

  • “Comparison of QMC and ab initio methods for eight constitutional isomers of C4H6 [PDF]

Robert Lee (rml38 at cam.ac.uk)

  • “QMC and the 1d electron liquid” [PDF]

Pablo López Ríos (pl275 at cam.ac.uk)

  • “The Jastrow factor” [PDF]

Ryo Maezono (rmaezono at mac.com)

  • “DMC study of an atom immersed in a jellium sphere” [PDF]

Mariapia Marchi (marchi at sissa.it)

  • “Resonating Valence Bond wave function with molecular orbitals: application to diatomic molecules” [PDF]

Alston Misquitta (am592 at cam.ac.uk)

  • “The dispersion energy: an introduction and some surprises” [PDF]

Andrew Morris (ajm255 at cam.ac.uk)

  • “BEC-BCS crossover in ultracold atomic gasses within Quantum Monte Carlo” [PDF]

Richard Needs (rn11 at cam.ac.uk)

  • “Applications of ab initio random structure searching” [PDF]

Norbert Nemec (nn245 at cam.ac.uk)

  • “Diffusion Monte Carlo: exponentially inefficient for large systems” [PDF]

Priyanka Seth (ps479 at cam.ac.uk)

  • “QMC studies of the first row atoms” [PDF]

Mike Towler (mdt26 at cam.ac.uk)

  • “Pilot waves, Feynman path integrals, and quantum Monte Carlo” [PDF]

John Trail (jrtrail at jaist.ac.jp)

  • “Optimum and efficient sampling for variational quantum Monte Carlo” [PDF]

Lucas Wagner (lkwagner at berkeley.edu)

  • “Using QMC to optimize geometries” [PDF]

Ching-Ming Wei (cmw at phys.sinica.edu.tw)

  • “QMC studies of (i) transition metal clusters, and (ii) surface adsorption” [PPS]

Shiwei Zhang (shiwei at wm.edu)

  • “Is the homogeneous electron gas homogeneous?” [PDF]

Quantum Monte Carlo in the Apuan Alps IV – 2008

Dario Alfè (d.alfe at ucl.ac.uk)

  • “Melting temperature of Fe at Earth’s core conditions from quantum Monte Carlo free energy calculations” [PPT]

Jordi Boronat (jordi.boronat at upc.edu)

  • “Higher-order actions for path integral Monte Carlo simulations” [PDF]

Neil Drummond (ndd21 at cam.ac.uk)

  • “Quantum Monte Carlo study of the two-dimensional homogeneous electron gas” [PDF]

Jonathan DuBois (dubois9 at llnl.gov)

  • “Experiments in direct nodal optimization” [PDF]

Matthew Foulkes (wmc.foulkes at imperial.ac.uk)

  • “DFT and QMC studies of the thermodynamics of point defects in alumina” [PDF]

Rex Godby (rwg3 at york.ac.uk)

  • “Quantum transport beyond the independent-electron approximation” [PPT]

Richard Hennig (rhennig at cornell.edu)

  • “The QMC petascale project” [PDF]

Randy Hood (hood9 at llnl.gov)

  • “Quantum Monte Carlo studies of metals and materials with properties determined by weak dispersive interactions” [PPT]

John Jumper (jj314 at cam.ac.uk)

  • “Adaptive error control for diffusion Monte Carlo” [PDF]

Yukiumi Kita (happysea at mac.com)

  • “Multi-component quantum Monte Carlo method” [PPT]

Martin Korth (mkorth at muenster.de)

  • “Quantum Monte Carlo calculations of biomacromolecule model systems” [PDF]

Robert Lee (rml38 at cam.ac.uk)

  • “QMC with biexcitons” [PDF]

Pablo López Ríos (pl275 at cam.ac.uk)

  • “Backflow sparsity” [PDF]
    “A general Jastrow factor” [PDF]
    “Positronium molecules” [PDF]

Arne Lüchow (luechow at rwth-aachen.de)

  • “Quantum Monte Carlo calculations on Rydberg states and transition metal oxides” [PDF]

Ryo Maezono (rmaezono at mac.com)

  • “Some new random number generators tested on CASINO” [PPT]

Andrew Morris (ajm255 at cam.ac.uk)

  • “Defects in semiconductors using random structure searching” [PDF]

Norbert Nemec (nn245 at cam.ac.uk)

  • “Van der Waals forces in graphitic nanostructures” [PDF]

Manolo Per (manolo.per at rmit.edu.au)

  • “Anisotropic electron-pair densities in QMC” [PDF]

Fernando Reboredo (reboredofa at ornl.gov)

  • “A self-healed DMC algorithm” [PDF]- “QMC and GW calculations on fullerenes” [PDF]- Paper [PDF]

Masanori Tachikawa (tachi at yokohama-cu.ac.jp)

  • “Multi component molecular orbital method for positronic compounds” [PPT]

Mike Towler (mdt26 at cam.ac.uk)

  • “Another look at pilot wave theory – De Broglie and Bohm’s solution to the QM interpretation problem, together with reflections on possible connections with quantum Monte Carlo.” [PDF]

Quantum Monte Carlo in the Apuan Alps III – 2007

Richard Needs (rn11 at cam.ac.uk)

  • “Further random results from random structure searching” [PDF]

Dario Alfè (d.alfe at ucl.ac.uk)

  • “Absolute rate of thermal desorption from first principles simulations” [PDF]

Lucas Wagner (lkwagner at berkeley.edu)

  • “Quantum Monte Carlo and transition metal oxides” [PDF]

Nick Hine (nicholas.hine at imperial.ac.uk)

  • “Quantum Monte Carlo investigations of point defects in alumina” [PDF]

Paolo Umari (umari at democritos.it)

  • “Linear and non-linear susceptibilities from quantum Monte Carlo: application to periodic hydrogen chains” [PPT]

Pablo López Ríos (pl275 at cam.ac.uk)

  • “QMC study of the electron-hole phase diagram” [PDF]

Neil Drummond (ndd21 at cam.ac.uk)

  • “QMC studies of quantum nanowires and nanolayers” [PDF]

Zoltán Radnai (zr205 at cam.ac.uk)

  • “The Overhauser instability” [PDF]

Dario Bressanini (dario.bressanini at insubria.it)

  • “The quest for compact wave functions” [PPT]

Rene Gaudoin (swxgagar at ehu.es)

  • “Modelling the spherically-averaged structure factor in quantum Monte Carlo calculations” [PDF]

Claudio Attaccalite (claudio.attaccalite at gmail.com)

  • “Ab initio molecular dynamics for high-pressure liquid hydrogen” [PDF]

Richard Hennig (rhennig at ccmr.cornell.edu)

  • “Dense beryllium-lithium alloys with quasi 2-d electronic states in a 3-d crystal structure” [PDF]

Alexander Badinski (ab582 at cam.ac.uk)

  • “Accurate diffusion Monte Carlo forces” [PDF]

Alán Aspuru-Guzik (alan at aspuru.com)

  • “Where is the electron pair? A QMC detective story” [PDF]
    “Quantum computation for quantum chemistry and statistical mechanics” [PDF]

John Trail (jrt32 at cam.ac.uk)

  • “Optimization on random surfaces” [PDF]

Ching-Ming Wei (cmw at phys.sinica.edu.tw)

  • “QMC studies of Na, B and Al clusters” [PPT]

Stefano Paolini (paolini at sissa.it)

  • “Quantum Monte Carlo simulations of He-4 clusters doped with molecular and ionic impurities” [PPT]

Ryo Maezono (rmaezono at mac.com)

  • “Pseudopotential QMC calculations of porphyrin using CASINO” [PPT]

Andrew Morris (ajm255 at cam.ac.uk)

  • “BEC-BCS crossover in cold atoms” [PDF]

Kilian Frensch (kilian.frensch03 at imperial.ac.uk)

  • “Point defects in TiO2 [PDF]

Quantum Monte Carlo in the Apuan Alps II – 2006

Ali Alavi (asa10 at cam.ac.uk)

  • “Quantum Monte Carlo based on the idea of sampling graphs” [PPT]

Alexander Badinski (ab582 at cam.ac.uk)

  • “Accurate forces from ab initio pseudopotentials within QMC” [PDF]

Dario Bressanini (dario.bressanini at uninsubria.it)

  • “Is QMC delivering its early promises? (with some reflections on nodes and wave functions)” [PPT]

Neil Drummond (ndd21 at cam.ac.uk)

  • “Ab initio study of positron annihilation in a homogeneous electron gas” [PDF]
    “Some QMC puzzles” [PDF]

Matthew Foulkes (m.foulkes at ic.ac.uk)

  • “Finite size corrections: structure factor or MPC or both?” [PDF]

Idoia Garcia de Gurtubay (ig243 at cam.ac.uk)

  • “QMC dissociation energy of the water dimer: time-step errors and backflow calculations” [PDF]

Ainsley Gibson (ainsley.gibson at gmail.com)

  • “Quantum Monte Carlo for ‘difficult’ systems in materials chemistry” [PPT]

Richard Hennig (hennig.4 at osu.edu)

  • “Accuracy of the pseudopotential and fixed-node approximations for first and second-row dimers” [PDF]

Nick Hine (nicholas.hine at imperial.ac.uk)

  • “The surface energy of the electron gas: resolving a long-standing contradiction” [PPT]

Pablo Lopez Rios (pl275 at cam.ac.uk)

  • “Inhomogeneous backflow transformations in quantum Monte Carlo” [PDF]
    ..and the accompanying movie [GIF]

Andrea Ma (am570 at cam.ac.uk)

  • “The equation of state of diamond” [PDF]

Ryo Maezono (maezono.ryo at nims.go.jp)

  • “The fragment method in QMC” [PPT]

Lubos Mitas (lmitas at unity.ncsu.edu)

  • “Topology of fermion nodes and Pfaffian pairing wave functions” [PDF]

Richard Needs (rn11 at cam.ac.uk)

  • “Where are the atoms?” [PDF]

Zoltán Radnai (zr205 at cam.ac.uk)

  • “Non-collinear spins in QMC: application to spiral spin density waves” [PDF]

Ian Snook (ian.snook at rmit.edu.au)

  • “QMC and weak physical interactions” [PPT]

Graham Spink (ggs24 at cam.ac.uk)

  • “Remaining problems in the homogeneous electron gas” [PPT]

John Trail (jrt32 at cam.ac.uk)

  • “QMC: what are the odds of that?” [PDF]

Quantum Monte Carlo in the Apuan Alps – 2005

Alexander Badinski (ab582 at cam.ac.uk)

  • Forces in QMC: a literature review, challenges and our new possible approach [PDF]

Neil Drummond (ndd21 at cam.ac.uk)

  • Some mathematical puzzles in QMC [PDF]
  • Optimisation of Jastrow factors by variance minimisation [PDF]
  • Electron emission from diamondoids: a DMC study [PDF]

Matthew Foulkes (m.foulkes at ic.ac.uk)

  • The surface energy of the electron gas – a battle with error bars [PDF]

Nick Hine (nicholas.hine at imperial.ac.uk)

  • Localization tensor calculations on quantum dots in DFT and VMC [PPT]

Idoia Garcia de Gurtubay (ig243 at cam.ac.uk)

  • QMC dissociation energies of three electron hemibonded radical cation
    dimers.. and water clusters.
    [PDF]

Pablo Lopez Rios (pl275 at cam.ac.uk)

  • The electron-hole system and QMC [PDF]
  • Backflow corrections in QMC : going beyond the Slater-Jastrow wave function in fermionic systems [PDF]

Andrea Ma (am570 at cam.ac.uk)

  • Diamond equation of state [PDF]

Ryo Maezono (MAEZONO.Ryo at nims.go.jp)

  • The fragment method in QMC [PPT]

Richard Needs (rn11 at cam.ac.uk)

  • Calculating the dielectric constant within QMC [PDF]
  • Wave functions in QMC [PDF]

Zoltán Radnai (zr205 at cam.ac.uk)

  • Noncollinear spins in QMC: spiral spin density waves in the HEG [PDF]

Mike Towler (mdt26 at cam.ac.uk)

  • Localized orbitals and localized basis sets [PDF]
  • Metal-insulator transitions [PDF], [Sorella paper]
  • Richard Burton and the source of the Nile [PDF]

John Trail (jrt32 at cam.ac.uk)

  • Multideterminant atomic wave functions for quantum Monte Carlo [PDF]

Leave a Reply