Developments of DFT from Quantum to Statistical Mechanics (III)
FOCUS · E02 ·
Presentations
-
Dynamical density functional theory for the collective behavior of active particles
Invited
–
Presenters
-
Hartmut Loewen
- Institut für Theoretische Physik II, Weiche Materie, Heinrich-Heine-Universität Düsseldorf
- Physics, Heinrich-Heine-University of Duesseldorf
Authors
-
Hartmut Loewen
- Institut für Theoretische Physik II, Weiche Materie, Heinrich-Heine-Universität Düsseldorf
- Physics, Heinrich-Heine-University of Duesseldorf
-
-
A Density Functional Theory Study of Magnetic Fields Effects on the Intermolecular Interactions
ORAL
–
Presenters
-
Hemanadhan Myneni
- Department of Physics, Temple University
Authors
-
Hemanadhan Myneni
- Department of Physics, Temple University
-
Dariusz Kedziera
- Faculty of Chemistry, Nicolaus Copernicus University in Torun
-
Jan Andzelm
- RDRL-WMM-G, U.S. Army Research Laboratory
-
Erik Tellgren
- Department of Chemistry, University of Oslo
-
Trygve Helgaker
- Department of Chemistry, University of Oslo
-
Krzysztof Szalewicz
- Department of Physics and Astronomy, University of Delaware
-
-
Fitting a Round Peg into a Round Hole -- Constructing an Asymptotically Correct Generalized Gradient Approximation.
ORAL
–
Presenters
-
Antonio Cancio
- Physics and Astronomy, Ball State University
- Ball State University
Authors
-
Antonio Cancio
- Physics and Astronomy, Ball State University
- Ball State University
-
Kieron Burke
- Physics and Chemistry, Univ of California - Irvine
- Chemistry, Univ of California - Irvine
- University of California Irvine
- Chemistry, University of California
- Chemistry, University of California, Irvine
- University of California, Irvine
- Univ of California - Irvine
- Department of Chemistry, University of California-Irvine
-
Guo Chen
- University of California, Irvine
-
Brandon Krull
- University of California, Irvine
-
-
Benchmark of computationally efficient self-interaction corrections using Fermi orbitals (FO-SIC) in DFT.
ORAL
–
Presenters
-
Fredy Aquino
- Univ of California - Riverside
- Chemical & Environmental Engineering, University of California, Riverside
Authors
-
Fredy Aquino
- Univ of California - Riverside
- Chemical & Environmental Engineering, University of California, Riverside
-
Bryan Wong
- Chemical & Environmental Engineering, University of California, Riverside
-
-
Ultra Long-Range Ab Initio Calculations
ORAL
–
Presenters
-
Tristan Müller
- Max-Planck-Institute of Microstructure Physics
Authors
-
Tristan Müller
- Max-Planck-Institute of Microstructure Physics
-
Sangeeta Sharma
- Theory, Max Planck Institute of Microstructure Physics
- Max-Planck Institute of Microstructure Physics
- Max Planck Inst Microstructure
- Max-Planck-Institute of Microstructure Physics
-
Eberhard K Gross
- Max Planck Institute of Microstructure Physics
- Theory, Max-Planck-Institute of Microstructure Physics
- Theory, Max Planck Institute of Microstructure Physics
- Max-Planck Institute of Microstructure Physics
- Max Planck Inst Microstructure
- Max-Planck-Institute of Microstructure Physics
-
John Dewhurst
- Theory, Max Planck Institute of Microstructure Physics
- Max-Planck Institute of Microstructure Physics
- Max Planck Inst Microstructure
- Max-Planck-Institute of Microstructure Physics
-
-
Joint Density-Functional Theory
Invited
–
Presenters
-
Tomas Arias
- Physics, Cornell University
- Cornell University
- Cornell Univ
Authors
-
Tomas Arias
- Physics, Cornell University
- Cornell University
- Cornell Univ
-
Kendra Letchworth-Weaver
- Argonne National Lab
- Argonne National Laboratory
-
Ravishankar Sundararaman
- Department of Materials Science and Engineering, Rensselaer Polytechnic Institute (RPI)
- Materials Science and Engineering, Rensselaer Polytechnic Institute
-
Juan Mendez Valderrama
- Physics, University of Los Andes
- University of Los Andes
-
Yunus Kinkhabwala
- Applied Physics, Cornell University
- Cornell Univ
-
Itai Cohen
- Laboratory of Atomic and Solid State Physics, Cornell University
- Physics, Cornell University
- Cornell University
- Department of Physics, Cornell University
- Cornell Univ
-
-
Scalability of DFT protocols for calculating quantum work in many-body systems
ORAL
–
Presenters
-
Marcela Trujillo
- Federal University of ABC
- Centro de Ciências Naturais e Humanas, Universidade Federal do ABC
Authors
-
Marcela Trujillo
- Federal University of ABC
- Centro de Ciências Naturais e Humanas, Universidade Federal do ABC
-
Krissia Zawadzki
- Instituto de Física de São Carlos, Universidade de São Paulo
- Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo
-
Roberto Serra
- Federal University of ABC
- Centro de Ciências Naturais e Humanas, Universidade Federal do ABC
-
Irene D'Amico
- Department of Physics, University of York
- Physics, University of York
-
-
An <i>a priori</i> Prediction of the Accuracy of Approximate Density Functional Theories
ORAL
–
Presenters
-
Michelle Kelley
- Physics, Cornell University
Authors
-
Michelle Kelley
- Physics, Cornell University
-
Tomas Arias
- Physics, Cornell University
- Cornell University
- Cornell Univ
-
-
Modeling Phase Transition in Battery Electrodes Using the Coupled Cahn-Hilliard – Phase Field Crystal Methods
ORAL
–
Presenters
-
Ananya Balakrishna
- Department of Materials Science and Engineering, Massachusetts Institute of Technology
Authors
-
Ananya Balakrishna
- Department of Materials Science and Engineering, Massachusetts Institute of Technology
-
W. Craig Carter
- Department of Materials Science and Engineering, Massachusetts Institute of Technology
-
-
Improved Understanding of the Adsorption of Aromatic Molecules from Recent meta-GGA’s
ORAL
–
Presenters
-
SANTOSH ADHIKARI
- Physics, Temple Univ
Authors
-
SANTOSH ADHIKARI
- Physics, Temple Univ
-
Bimal Neupane
- Physics, Temple Univ
-
Adrienn Ruzsinszky
- Physics, Temple University
- Physics, Temple Univ
- Temple University
-
-
One-electron energy spectra of isolated atoms via coupled-cluster singles and doubles
ORAL
–
Presenters
-
Hirofumi Nishi
- The University of Tokyo
- Department of Applied Physics, University of Tokyo
Authors
-
Hirofumi Nishi
- The University of Tokyo
- Department of Applied Physics, University of Tokyo
-
Taichi Kosugi
- Department of Applied Physics, University of Tokyo
- The University of Tokyo
-
Yoritaka Furukawa
- The University of Tokyo
- Department of Applied Physics, University of Tokyo
-
Yu-ichiro Matsushita
- Department of Applied Physics, University of Tokyo
- The University of Tokyo
-