Focus Session: Configuration interaction Quantum Monte Carlo techniques
FOCUS · W24 ·
Presentations
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FCIQMC algorithm development and applications
COFFEE_KLATCH · Invited
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Authors
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Ali Alavi
- University of Cambridge
- University of Cambridge, The University Chemical Laboratory, United Kingdom
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Stochastic Coupled Cluster Theory
ORAL
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Authors
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Alex J. W. Thom
- Department of Chemistry, University of Cambridge, Cambridge, UK
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Full Configuration Interaction Quantum Monte Carlo and Diffusion Monte Carlo: A Comparative Study of the 3D Homogeneous Electron Gas
ORAL
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Authors
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James J. Shepherd
- University of Cambridge, UK
- University of Cambridge, The University Chemical Laboratory, United Kingdom
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Pablo L\'opez R\'Ios
- University of Cambridge, UK
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Richard J. Needs
- University of Cambridge, UK
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Neil D. Drummond
- University of Lancaster, UK
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Jennifer A.-F. Mohr
- University of Cambridge, UK
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George H. Booth
- Princeton University, USA
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Andreas Gr\"uneis
- University of Vienna, Austria
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Georg Kresse
- University of Vienna, Austria
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Ali Alavi
- University of Cambridge, UK
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Development of multicomponent semistochastic quantum Monte Carlo method for variational solution of molecular Hamiltonian without invoking the Born-Oppenheimer approximation
ORAL
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Authors
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Benjamin Ellis
- Dept. of Chemistry, Syracuse University
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Arindam Chakraborty
- Dept. of Chemistry, Syracuse University
- Syracuse University
- Department of Chemistry, Syracuse University
- Dept. of Chemistry, Syracuse University, Syracuse, NY
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Adam Holmes
- Laboratory of Atomic and Solid State Physics, Cornell University
- Dept. of Physics, Cornell University
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Hitesh J. Changlani
- Dept. of Physics, Cornell University
- Cornell University
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Cyrus Umrigar
- Dept. of Physics, Cornell University
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Reduced Density Matrices in Full Configuration Interaction Quantum Monte Carlo
ORAL
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Authors
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Catherine Overy
- The University Chemical Laboratory, University of Cambridge, UK
- University of Cambridge, The University Chemical Laboratory, United Kingdom
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Deidre Cleland
- The University Chemical Laboratory, University of Cambridge, UK
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George H. Booth
- Department of Chemistry, Frick Laboratory, Princeton University, USA
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James J. Shepherd
- The University Chemical Laboratory, University of Cambridge, UK
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Ali Alavi
- The University Chemical Laboratory, University of Cambridge, UK
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Evaluation of expectation values in full configuration interaction quantum Monte Carlo
ORAL
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Authors
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J.S. Spencer
- Imperial College London
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W.M.C. Foulkes
- Imperial College London
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Improvements and Applications of Semistochastic Quantum Monte Carlo
ORAL
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Authors
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Adam Holmes
- Laboratory of Atomic and Solid State Physics, Cornell University
- Dept. of Physics, Cornell University
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Hitesh Changlani
- Laboratory of Atomic and Solid State Physics, Cornell University
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Miguel A. Morales
- Lawrence Livermore National Laboratory
- LLNL
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M.P. Nightingale
- Department of Physics, University of Rhode Island
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C.J. Umrigar
- Laboratory of Atomic and Solid State Physics, Cornell University
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Investigating the Singlet-Triplet Gap in Tetramethyleneethane using Quantum Monte Carlo Techniques
ORAL
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Authors
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Zachary Pozun
- Department of Chemistry, University of Pittsburgh
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Jan Hermann
- Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague
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Kenneth Jordan
- Department of Chemistry, University of Pittsburgh
- University of Pittsburgh
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Systematically improvable auxiliary-field quantum Monte Carlo for strongly correlated systems
ORAL
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Authors
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Wirawan Purwanto
- Department of Physics, College of William and Mary, Williamsburg, VA
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Shiwei Zhang
- College of William and Mary
- physics department, College of William and Mary
- Department of Physics, College of William and Mary, Williamsburg, VA
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Henry Krakauer
- Department of Physics, College of William and Mary, Williamsburg, VA
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Acceleration of Self Healing Diffusion Monte Carlo for nearly degenerate eigenstates
ORAL
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Authors
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Fernando Reboredo
- Oak Ridge National Laboratory
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Excited states and spectral functions within full configuration interaction quantum Monte Carlo
ORAL
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Authors
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George Booth
- Princeton University
- Department of Chemistry, Frick Laboratory, Princeton University, USA
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Garnet Chan
- Princeton University
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Quantum Monte Carlo Study of $\pi $-bonded Transition-metal Organometallic Sandwiches
ORAL
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Authors
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Ivan Stich
- Institute of Physics, Slovak Academy of Sciences, Bratislava, Slovakia
- Inst. of Physics, Slovak Acad. of Sciences, 84511 Bratislava, Slovakia
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Lucia Horvathova
- Institute of Physics, Slovak Academy of Sciences, Bratislava, Slovakia
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Matus Dubecky
- Institute of Physics, Slovak Academy of Sciences, Bratislava, Slovakia
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Lubos Mitas
- North Carolina State University, Department of Physics, Raleigh
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Symmetry in Auxiliary-Field Quatnum Monte Carlo Calculations
ORAL
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Authors
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Hao Shi
- physics department, College of William and Mary
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Shiwei Zhang
- College of William and Mary
- physics department, College of William and Mary
- Department of Physics, College of William and Mary, Williamsburg, VA
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