Bulletin of the American Physical Society

APS March Meeting 2018

Volume 63, Number 1

Monday–Friday, March 5–9, 2018; Los Angeles, California

Session Index

Session P02: Developments of DFT from Quantum to Statistical Mechanics (IV)

Focus Session

Show Abstracts

Sponsoring Units: DCP DCOMP
Chair: Tomas Arias, Cornell University
Room: LACC 150B

Wednesday, March 7, 2018 2:30PM - 3:06PM		P02.00001: Efficient molecular density functional theory using generalized spherical harmonics expansions Invited Speaker: Daniel Borgis
Wednesday, March 7, 2018 3:06PM - 3:18PM		P02.00002: ABSTRACT WITHDRAWN
Wednesday, March 7, 2018 3:18PM - 3:30PM		P02.00003: Connecting Quantum and Classical DFT Dennis Perchak, Kieron Burke
Wednesday, March 7, 2018 3:30PM - 3:42PM		P02.00004: Steps in the Exact Kohn-Sham Potential of Ensemble Density-functional Theory for Excited States and Their Relation to the Derivative Discontinuity Matt Hodgson, Eli Kraisler, Mike Entwistle, Axel Schild, Eberhard K Gross
Wednesday, March 7, 2018 3:42PM - 3:54PM		P02.00005: Time-Dependent Multi-Component Density Functional Theory for Coupled Electron-Positron-Nuclear Dynamics Yasumitsu Suzuki, Satoshi Hagiwara, Kazuyuki Watanabe
Wednesday, March 7, 2018 3:54PM - 4:06PM		P02.00006: Validating Molecular Dynamics and Joint DFT Predictions of Interfacial Water Using X-Ray Reflectivity Kendra Letchworth-Weaver, Katherine Harmon, Alex Gaiduk, Federico Gilberti, Francois Gygi, Maria Chan, Giulia Galli, Paul Fenter
Wednesday, March 7, 2018 4:06PM - 4:42PM		P02.00007: DFT-based embedding theories: Wavefunction-embedding, dynamics, excited states, and applications Invited Speaker: Thomas Miller
Wednesday, March 7, 2018 4:42PM - 4:54PM		P02.00008: Applying Exact Conditions to Machine Learned Density Functionals Jacob Hollingsworth, Li Li, Kieron Burke
Wednesday, March 7, 2018 4:54PM - 5:06PM		P02.00009: Generating Generalized K-point Grids on the fly Wiley Morgan, Parker Hamilton, John Christensen, Rod Forcade, Gus Hart
Wednesday, March 7, 2018 5:06PM - 5:18PM		P02.00010: Inclusion of the ionic zero-point motion in the density functional theory-beyond the Born-Oppenheimer approximation Efstratios Manousakis, Grigory Kolesov, Efthimios Kaxiras
Wednesday, March 7, 2018 5:18PM - 5:30PM		P02.00011: Utilizing Advanced Kinetic Energy Density Based Ingredients for Novel Local Hybrid Mixing Functions James Furness, Jianwei Sun

About APS

The American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics.

Headquarters 1 Physics Ellipse, College Park, MD 20740-3844 (301) 209-3200
Editorial Office 100 Motor Pkwy, Suite 110, Hauppauge, NY 11788 (631) 591-4000
Office of Public Affairs 529 14th St NW, Suite 1050, Washington, D.C. 20045-2001 (202) 662-8700

Bulletin of the American Physical Society

APS March Meeting 2018

Volume 63, Number 1

Monday–Friday, March 5–9, 2018; Los Angeles, California

Session Index

Session P02: Developments of DFT from Quantum to Statistical Mechanics (IV)

Follow Us

Engage

My APS

Information for

About APS