Presentations
2020 Presentations
Accelerating Extreme Condition System Simulations
S.B. Trickey
PDF: Accelerating Extreme Condition System Simulations
DOE FY 2020 Highlight, 11 Aug. 2020
Analysis of over-magnetization of elemental transition metal solids from the SCAN and related density functionals
Daniel Mejía-Rodríguez
Amer. Phys. Soc. March 2020 Meeting (cancelled) talk A58.004
Local Pressures for Strongly Inhomogeneous States
J.W. Dufty
PDF: Local Pressures for Strongly Inhomogeneous States
Amer. Phys. Soc. March 2020 Meeting (cancelled) talk X02.007
Nuclear Quantum Effects in Two-temperature Hydrogen via Orbital-free DFT Path Integral MD
S.B. Trickey
PDF: Nuclear Quantum Effects in Two-temperature Hydrogen via Orbital-free DFT Path Integral MD
Amer. Phys. Soc. March 2020 Meeting (cancelled) talk P03.002
2019 Presentations
Less is More - or - Back to Kohn-Sham
S.B. Trickey
PDF: Less is More - or - Back to Kohn-Sham
Current Topics in Theoretical Chemistry, 01-05 July 2019, Quito, Ecuador
Thermodynamics for Non-uniform Systems and DFT
J.W. Dufty
PDF: Thermodynamics for Non-uniform Systems and DFT
CECAM Workshop "Fundamentals of Density Functional Theory for T> 0: Quantum meets Classical", 20-23 May 2019, Lausanne Switzerland
Essentials of Many-Fermion DFT and Their Relationship [or Lack Thereof] to Classical DFT
S.B. Trickey
PDF: Essentials of Many-Fermion DFT and Their Relationship [or Lack Thereof] to Classical DFT
CECAM Workshop "Fundamentals of Density Functional Theory for T> 0: Quantum meets Classical", 20-23 May 2019, Lausanne Switzerland
2018 Presentations
Development of Free Energy Density Functional Theory: Predictive Power of First Principles Approximations for Warm Dense Matter
Kai Luo
4th Internat. Conference on High Energy Density Physics, 21-25 Oct. 2018, Ningbo China
Simplification of meta-GGA Exchange-Correlation Functionals
S.B. Trickey
PDF: Simplification of meta-GGA Exchange-Correlation Functionals
XVII Internat. Materials Research Congress, 21 August 2018, Cancún México
2017 Presentations
Finite-temperature Exchange-Correlation Functionals: Developments and Implications
S.B. Trickey, V.V. Karasiev, L. Calderín, and J.W. Dufty
PDF: Finite-temperature Exchange-Correlation Functionals: Developments and Implications
Invited presentation, WDM 2017 Workshop, 10 April 2017. Vancouver BC
Generalized Gradient Approximation for Exchange-Correlation Free Energy
V.V. Karasiev, J.W. Dufty, and S.B. Trickey
PDF: Generalized Gradient Approximation for Exchange-Correlation Free Energy
Paper L26:04, APS March meeting, 15 March 2017. New Orleans LA
Kubo-Greenwood Electric Conductivity Tensor: Essentials and Open-source Implementation
L. Calderín, V.V. Karasiev, J.W. Dufty, and S.B. Trickey
PDF: Kubo-Greenwood Electric Conductivity Tensor: Essentials and Open-source Implementation
Paper K2:05, APS March meeting, 15 March 2017. New Orleans LA
Tunable Non-interacting Free-energy Functionals: Development and Applications to Low-density Aluminum
S.B. Trickey and V.V. Karasiev
Paper K2:06, APS March meeting, 15 March 2017. New Orleans LA
Equivalence of Functionals for the Electron Gas and Jellium at Finite Temperature
James W. Dufty
PDF: Equivalence of Functionals for the Electron Gas and Jellium at Finite Temperature
Paper C8:13, APS March meeting, 13 March 2017. New Orleans LA
2011 Presentations
Restricted Path-Integral Molecular Dynamics for Simulating the Correlated Electron Plasma in Warm Dense Matter
Vivek Kapila
Presented at the APS DPP Meeting Nov. 14-18, 2011, Salt Lake City UT
Temperature-Dependent Behavior of Confined Many-electron Systems in the Hartree-Fock Approximation
Travis Sjostrom
Presented at the APS DPP Meeting Nov. 14-18, 2011, Salt Lake City, UT
Finite-Temperature Orbital-free Density Functional Calculations for Warm Dense Lithium
Valentin Karasiev
PDF: Finite-Temperature Orbital-free Density Functional Calculations for Warm Dense Lithium
(poster) Presented at the APS DPP Meeting Nov. 14-18, 2011, Salt Lake City, UT
Classical Representation of a Quantum System at Equilibrium
Sandipan Dutta
PDF: Classical Representation of a Quantum System at Equilibrium
(poster) Presented at the APS DPP Meeting Nov. 14-18, 2011, Salt Lake City, UT
Temperature-Dependent Behavior of Confined Many-electron systems in the Hartree-Fock Approximation
Sam Trickey
Presented at the "First International Workshop on Studies of Confined Quantum Systems" held at Universidad Metropolitana Autonoma - Iztapalapa, Mexico City, 7-9 Sept. 2011
Classical Representation of a Quantum System at Equilibrium
Jim Dufty
PDF: Classical Representation of a Quantum System at Equilibrium
Presented at the Strongly Coupled Coulomb Systems 2011 conference held in Budapest, Hungary July 24-29, 2011.
2010 Presentations
Recent advances in development of single-point orbital-free kinetic energy functionals
Valentin Karasiev
PDF: Recent advances in development of single-point orbital-free kinetic energy functionals
Presented at Pacifichem 2010 conference held in Honolulu, Hawaii Dec. 15-20, 2010.