Thomas and Steve's article "Chemical accuracy from small, system-adapted basis functions" was posted to the ArXiv!

Check it out on our publications page!

Zeng-hui and Aurora's paper  " Direct extraction of excitation energies from ensemble density functional theory", has been accepted to Physical Review Letters!

Check it out on our publications page!

Li, Thomas, and Steve's article "Pure density functional for strong correlation and the thermodynamic limit from machine learning" was highlighted at a Press conference at the 2017 March APS meeting!

Check out the press article in APS news here and a blog post from Physics World here. 

Congratulations to Kieron for being named a fellow of the British Royal Society of Chemistry!

Raphael and Kieron's paper,  "Leading corrections to local approximations II: the case with turning points " has appeared in Phys. Rev B.

John, Weitao, Kieron, and Zenghui's paper,  "Understanding Band Gaps of Solids in Generalized Kohn-Sham Theory" has appeared in PNAS.


Check it out on our publications page!

Li, Thomas, and Steve' article " Pure density functional for strong correlation and the thermodynamic limit from machine learning", has appeared in Physical Review B!

Check it out on our publications page!

Li, Thomas, and Steve' article " Pure density functional for strong correlation and the thermodynamic limit from machine learning" has been accepted at Phys. Rev. B!

Check it out on our publications page.

Li, Tom, and Steve's article "Pure density functional for strong correlations and the thermodynamic limit from machine learning" has been submitted.  Check it out on the arxiv or our publications page!

Felix, Li, Kieron, and Klaus-Robert have submitted a paper, "By-passing the Kohn-Sham equations with machine learning".

Check it out in our Publications page!

Justin and Aurora's paper, " Exact thermal density functional theory for a model system : Correlation components and accuracy of the zero-temperature exchange-correlation approximation" has appeared in Physical Review B!

Check it out in our Publications page!

Aurora and Paul's paper, "Thermal density functional theory: Time-dependent linear response and approximate functionals from the fluctuation-dissipation theorem" has appeared in Physical Review Letters!

Check it out in our Publications page!

Aurora's paper, "Connection formulas for thermal density functional theory" has appeared in Physical Review B.

Justin and Aurora's paper "Thermal corrections to density functional simulations of warm dense matter" has been accepted to Physical Review B.

Check them all out in our Publications page!

Yang, Kieron, and Weitao's paper, "Accurate atomic quantum defects from particle-particle random phase approximation" has appeared online in the journal Molecular Physics.

Check it out in our Publications page!

Justin, Paul, and Aurora's paper "Exact conditions on the temperature dependence of density functionals" has been accepted for publication as a Regular Article in Physical Review B.

Aurora's paper, "Connection formulas for thermal density functional theory" has been accepted to Physics Review B.

Aurora and Paul's paper, "Thermal density functional theory: Time-dependent linear response and approximate functionals from the fluctuation-dissipation theorem" has been accepted to Physics Review Letters.

Check them all out in our Publications page!

Kieron, Justin, Paul and Aurora's paper "Exact conditions on the temperature dependence of density functionals" has been accepted for publication as a Regular Article in Physical Review B.

Check it out on our Publications page!

Putting the Theory Back in Density Functional Theory: A Summer School 

Scientific Overview

Last year, at least 30,000 scientific papers reported the results of DFT calculations. Many workshops and schools teach how to run a specific code. The purpose of this school is to teach the theory behind DFT. Lectures will be pedagogical and range from fundamentals (Hohenberg-Kohn theorem) to the latest approximations, and will help connect DFT to other areas of mathematics and theory.
The school is primarily targeted at junior researchers (Ph.D. students and postdocs) who are currently running DFT calculations and/or developing DFT or are interested in learning more about DFT. Internationally renowned experts in DFT will provide a thorough training in the fundamental theory through lectures and pedagogical research talks that connect themes of the lectures to the lecturers’ own cutting-edge research. All participants are encouraged to submit an abstract to present a poster, and a limited number will be selected for oral presentations to the entire school.
Confirmed Speakers
Kieron Burke (University of California, Irvine), Attila Cangi (Max Planck Institute of Microstructure Physics), Carlos Garcia-Cervera (University of California, Santa Barbara), Paola Gori-Giorgi (Vrije Universiteit), Hardy Gross (Max Planck Institute of Microstructure Physics), Mel Levy (Tulane University), Jianfeng Lu (Duke University), Neepa Maitra (Hunter College, CUNY), John Perdew (Tulane University), Adrienn Ruzsinszky (Temple University), and Weitao Yang (Duke University).
Participation
Additional information about this workshop including links to register and to apply for funding, can be found on the webpage listed below. Encouraging the careers of women and minority mathematicians and scientists is an important component of IPAM's mission, and we welcome their applications.
Application
Deadline: May 1, 2016
Link: https://www.mathprograms.org/db/programs/418
www.ipam.ucla.edu/dft2016

Li and John's long paper "Understanding machine-learned density functionals" has been appeared online!

Check it out on International Journal of Quantum Chemistry or on our Publications page!

Kieron, Justin, Paul and Aurora have submitted a new paper:

Exact conditions on the temperature dependence of density functionals Kieron Burke, Justin Smith, Paul E. Grabowski, Aurora Pribram-Jones,submitted and ArXiv:1511.02194 (2015).

Check it out on our Publications page!

Kieron submitted a new paper "Accurate atomic quantum defects from particle-particle random phase approximation" with Yang Yang and Weitao Yang on Special Issue of Molecular Physics in Honour of Andreas Savin.

Check it on our publication page!

Raphael has submitted a new paper:

Uniform semiclassical approximations for one-dimensional fermionic systems Raphael F. Ribeiro, Kieron Burke, submitted and ArXiv:1510.05676 (2015).

Check it out on our Publications page!