MESA+ University of Twente
CCP Research Group

Claudia Filippi: Presentations



Invited Talks at International Conferences

  • Simple formalism for efficient derivatives and multi-determinant wave functions in QMC
    Stochastic methods in electronic structure theory
    July 17-21 2017, Telluride, USA
  • Extending the applicability of quantum Monte Carlo to large molecules
    FemEx 2017
    June 22-25 2017, Putten, The Netherlands
  • Extending the applicability of quantum Monte Carlo to large molecules
    253st American Chemical Society Meeting
    April 2-7 2017, San Francisco, USA
  • Excited states with quantum Monte Carlo: Dissecting polarization in biomolecules
    Theory and Applications of Computational Chemistry 2016
    Aug 28-Sept 2 2016, Seattle, USA
  • Multiscale modeling for excited states: Capturing polarization in biomolecules
    International Society of Theoretical Chemical Physics IX Conference
    July 17-22, 2016, Grand Forks, USA
  • Quantum Monte Carlo for excited states in complex environments
    251st American Chemical Society Meeting
    13-17 March, 2016, San Diego, USA
  • Studying excited states in biomolecules with quantum Monte Carlo: A polarizing issue
    56th Sanibel meeting
    February 14-19, 2016, St. Simons Island, USA
  • Excited-state modeling in complex environments: A polarizing issue
    Workshop on " Excited States: Electronic Structure and Dynamics"
    July 13-17, 2015, Telluride, USA
  • Excited states of biomolecules with quantum Monte Carlo: Don't believe everything you hear
    Workshop on "Stochastic Electronic Structure"
    June 8-11, 2015, Telluride, USA
  • Quantum Monte Carlo for excited states in complex environments
    Workshop on "Advances in Electronic Structure Theory"
    April 27-29, 2015, Paris, France
  • Computing excited states in complex environments ... You can't always get what you want
    Pittsburgh Quantum Institute 2015: Quantum Coherence
    April 15-17, 2015, Pittsburgh, USA
  • All work and no play ... Computing excited states in complex environments
    International Conference on Theoretical and High Performance Computational Chemistry 2014
    September 14-18, 2014, Beijing, China
  • Embedded wavefunctions for excited states: Which wavefunctions? Which embedding?
    Low-scaling and Unconventional Electronic Structure Techniques Conference
    June 1-5, 2014, Telluride, USA
  • Differential polarization effects with wave function/DFT embedding for excited states
    Workshop on Density-based embedding for multiscale simulations
    March 24-27, 2014, CECAM, Lausanne, Switzerland
  • Quantum Monte Carlo for excited state calculations
    Winter School in Theoretical Chemistry: Theoretical Spectroscopy
    December 16-19, 2013, Helsinki, Finland
  • Predictive calculations of excited states ... The good, the bad, and the ugly
    New Frontiers in Electron Correlation
    June 15-20, 2013, Telluride, USA
  • Size-extensive wave functions for quantum Monte Carlo: A linear scaling generalized valence bond approach
    25th Workshop on Recent Developments in Electronic Structure Theory
    June 5-8, 2012, Wake Forest University, USA
  • Excitations of (bio)organic molecules from quantum Monte Carlo
    Workshop on Excited States and Non-Adiabatic Processes in Complex Systems
    July 25-27, 2011, Girona, Spain
  • Excitation energies of photoactive biomolecules from quantum Monte Carlo
    The International Chemical Congress of Pacific Basin Societies
    December 15-20, 2010, Honolulu, Hawaii, USA
  • Excitations in photosensitive biomolecules from Quantum Monte Carlo
    Quantum Monte Carlo Meets Quantum Chemistry: New approaches for Electron Correlation
    June 15-18, 2010, Lugano, Switzerland
  • Quantum Monte Carlo for excited state calculations
    DOE Workshop on Theories of Excited States in Molecules and Nanostructures
    June 13-14, 2010, Baltimore, USA
  • Quantum Monte Carlo for excited state calculations
    13th International Congress of Quantum Chemistry
    June 22-27, 2009, Helsinki, Finland
  • Autofluorescent proteins in a new light: a quantum Monte Carlo study
    Workshop on Ab Initio Modeling in Applied Biosciences
    Dec 11-12, 2008, Uppsala University, Sweden
  • Autofluorescent proteins in a new light: a quantum Monte Carlo study
    11th Asian Workshop on First-Principles Electronic Structure Calculations
    Nov 2-5, 2008, National Sun Yat-sen University in Kaohsiung, Taiwan
  • Autofluorescent proteins: Are first-principle calculations predictive?
    Workshop on Time-Dependent Density-Functional Theory: Prospects and Applications
    Sep 10-15, 2008, Benasque Center for Science, Benasque, Spain
  • Quantum Monte Carlo for electronic structure problems
    Summer School: Quantum Monte Carlo from minerals and materials to molecules
    July 9-19, 2007, University of Illinois at Urbana-Champaign, USA
  • Excitation energies of photoactive biomolecules from quantum Monte Carlo
    Progress in ab-initio modelling of biomolecules: Towards computational spectroscopy
    Apr 2-4, 2007, Universitá di Roma ''La Sapienza'', Italy
  • Quantum Monte Carlo methods in electronic structure theory
    Forward Look Workshop on European Computational Physics
    Nov 13-14, 2006, Forschungszentrum Juelich, Germany
  • Excitations in (bio)molecules from quantum Monte Carlo
    11th Nanoquanta Workshop on Electronic Excitations
    Sep 19-22, 2006, Houffalize, Belgium
  • Excitations in biomolecules from quantum Monte Carlo
    Progress in Ab-initio Modeling of Biomolecules: Methods and Applications
    Jul 3-7, 2006, Lorentz Center, Leiden, The Netherlands
  • Quantum Monte Carlo methods for electronic structure problems
    Spring School 2006: Computational Methods in Condensed Matter Physics
    Mar 6-17, 2006, Forschungszentrum Juelich, Germany
  • Excited states in quantum Monte Carlo: a self-consistent scheme for wave function optimization
    Psi-k 2005 Conference toward atomistic materials design
    Sep 17-21, 2005, Schwäbisch Gmünd, Germany
  • Quantum Monte Carlo methods for many-body systems
    Summer School on Fundamental Problems in Statistical Physics XI
    Sep 4-17, 2005, Leuven, Belgium
  • Quantum Monte Carlo for ground and excited-state calculations
    Symposium of the Deutsche Forschungsgemeinschaft Programme
    Modern and Universal First-principles Methods for Many-electron Systems in Chemistry and Physics
    Jul 4-6, 2005, Bonn, Germany
  • Quantum Monte Carlo for excited states of photoactive molecules
    XII Workshop on Computational Material Science: Total Energy and Force Methods
    Jan 12-15, 2005, Trieste, Italy
  • Wave function optimization for accurate quantum Monte Carlo calculations
    Conference on Computational Physics 2004
    Sep 1-4, 2004, Genova, Italy
  • Ground and excited-state quantum Monte Carlo energies: the importance of wave function optimization
    16th Workshop on Recent Developments in Electronic Structure Methods
    May 28-30, 2004, Rutgers University, New Jersey, USA
  • Lectures on Variational Monte Carlo for molecular systems
    School on Continuum Quantum Monte Carlo Methods
    Jan 12-23, 2004, Trieste, Italy
  • Quantum Monte Carlo study of photoactive molecules
    American Chemical Society National Meeting
    Sep 7-11, 2003, New York, USA
  • Surface physics with quantum Monte Carlo
    Workshop on ''Ab-initio Many-Body Theory for Correlated Electron Systems''
    Aug 25-29, 2003, Trieste, Italy
  • Quantum Monte Carlo calculations on materials
    Physics School ''Modeling and Simulation in Micro-Nano Technologies and Material Engineering''
    Apr 7-11, 2003, Toulouse, France
  • Quantum Monte Carlo pseudopotential calculations for reactions on Si surfaces
    March Meeting of the American Physical Society
    Mar 3-7, 2003, Austin, Texas, USA
  • Quantum Monte Carlo study of H2 dissociation on Si(001)
    43rd Sanibel Symposium
    Feb 22-Mar 1, 2003, St. Augustine, Florida, USA
  • Hydrogen adsorption on Si(001): a quantum Monte Carlo study
    European Physical Society, CMMP 2002
    Apr 7-11, 2002, Brighton, England
  • Quantum Monte Carlo calculations of hydrogen adsorption on Si(001)
    European Materials Research Society, Spring Meeting 2002
    June 18-21, 2002, Strasbourg, France
  • Forces in quantum Monte Carlo from correlated sampling
    March Meeting of the American Physical Society
    Mar 12-16, 2001, Seattle, WA, USA
  • The puzzle of H2 on Si(001): a quantum Monte Carlo study
    X Workshop on Computational Material Science: Total Energy and Force Methods
    Jan 11-13, 2001, Trieste, Italy
  • Correlated sampling for the computation of forces in quantum Monte Carlo
    Pacifichem 2000, IV International Chemical Congress of Pacific Basin Societies
    Dec 14-19, 2000, Honolulu, Hawaii, USA
  • Energy derivatives in quantum Monte Carlo: Forces and optimization
    Psi-k 2000 Conference on Ab Initio Calculations of Complex Processes in Materials
    Aug 22-26, 2000, Schwäbisch Gmünd, Germany
  • Computation of forces in quantum Monte Carlo
    XII Workshop on Recent Developments in Electronic Structure Methods
    May 19-22, 2000, Georgia Institute of Technology, Atlanta, GA, USA
  • Correlation effects in Compton profiles of Lithium
    Workshop on Physics of Insulators
    June-July 1998, Aspen Center for Physics, Aspen, Colorado, USA
  • Momentum distribution and Compton profiles of solid Lithium
    Workshop on Numerical Methods for Strongly Interacting Quantum Systems
    Nov-Dec 1997, Institute for Nuclear Theory, University of Washington, Seattle, WA, USA
  • Excitation energies from density functional perturbation theory
    IX Workshop on Recent Developments in Electronic Structure Methods
    May 31-June 2, 1997, Cornell University, Ithaca, NY, USA
  • Quantum Monte Carlo, local density and generalized gradient approximations
    Workshop on Real atoms and solids, core and valence electrons,
    April 8-10, 1997, Universitá di Roma ''La Sapienza'', Italy


Invited Seminars

  • Excitations of (bio)organic molecules from quantum Monte Carlo
    January 29, 2014, Center for Multiscale Theory and Computation, University of Muenster, Germany (J. Neugebauer)
  • Predictive calculations of excited states: A mirage?
    November 3, 2013, Institute of Physical Chemistry, KIT Karlsruhe, Germany (C. Jacob)
  • Solving the Schrödinger equation by random walks: Introduction to quantum Monte Carlo methods
    August 26-31, 2013, Convergent Distributed Environment for Computational Spectroscopy Summer School, Geneva, Switzerland (T. Wesolowski)
  • Solving the Schrödinger equation by random walks: Introduction to quantum Monte Carlo methods
    December 12-16, 2011, Winter School for Theoretical Chemistry and Spectroscopy, Han-sur-Lesse, Belgium (B. Ensing).
  • Solving the Schrödinger equation by random walks: Introduction to quantum Monte Carlo methods
    May 16-17, 2011, Chemistry Department, Torino, Italy (R. Dovesi)
  • Quantum Monte Carlo for photochemistry
    Winter Modeling 2010, Meeting of the Italian Chemical Society
    February 26, 2010, Scuola Normale Superiore di Pisa, Italy (V. Barone)
  • Photoactive biomolecules: Are first-principle calculations predictive?
    Scientific meeting on Chemistry related to Physics and Material Sciences, NWO/CW
    February 15-16, 2010, Veldhoven, The Netherlands
  • Autofluorescent proteins: Do first-principle calculations have predictive power?
    June 26, 2008, Amsterdam Center for Multiscale Modeling, The Netherlands (P. Bolhuis)
  • Quantum Monte Carlo methods in electronic structure theory
    Multi-scale Computational Chemistry, Spring meeting of the Swiss Association of Computational Chemistry
    March 28, 2008, University of Fribourg, Switzerland (C. Daul)
  • Excitations in (bio)molecules from quantum Monte Carlo
    March 27, 2008, Competence Center for Computational Chemistry, Zurich, Switzerland (H.P. Luethi)
  • Autofluorescent proteins: Do first-principle calculations have predictive power?
    March 4, 2008, Paul Scherrer Institute, Zurich, Zwitzerland (R. Morf)
  • Photoactive molecules in a new theoretical light
    May 24, 2007, Institute of Physical Chemistry, Aachen, Germany (A. Luchow)
  • Excited states in quantum Monte Carlo: a self-consistent scheme for wave function optimization
    Oct 18, 2005, Vrije Universiteit, Theoretical Chemistry, Amsterdam, The Netherlands (E.J. Baerends)
  • Quantum Monte Carlo calculations of excitations in photoactive molecules
    Nov 18, 2004, Ecole Polytechnique, Laboratoire des Solides Irradies, Paris, France (L. Reining)
  • Excitations in photoactive molecules from quantum Monte Carlo
    Jun 23, 2004, Chemistry Department, Ruhr-Universitaet Bochum, Germany (D. Marx)
  • Photoactive molecules: do first-principle calculations have predictive power?
    Apr 15, 2004, Institute for Theoretical Physics, Utrecht, The Netherlands (B. Farid)
  • Correlated calculations of hydrogen interaction with the Si(001) surface
    Nov 9, 2000, Cavendish Laboratory, Cambridge, England (R. Needs)
  • Prospects for quantum Monte Carlo molecular dynamics
    Apr 27, 2000, Fritz-Haber Institute, Berlin, Germany (P. Kratzer)
  • Recent developments in quantum Monte Carlo: calculation of forces and optimized wave functions
    Mar 2, 2000, Universitè Pierre et Marie Curie, Paris, France (A. Savin)
  • Compton profiles of Lithium: a quantum Monte Carlo approach
    Nov 14, 1997, University of Purdue, West Lafayette, Indiana, USA (G. Giuliani)
  • What's right and what's wrong about present day density functionals
    Feb 26, 1997, University of Missouri, Columbia, Missouri, USA (G. Vignale)