tag:blogger.com,1999:blog-44522839266782007832024-03-20T00:44:36.930-07:00NewsThe Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.comBlogger96125tag:blogger.com,1999:blog-4452283926678200783.post-16576473277088223532017-09-12T18:01:00.003-07:002017-09-12T18:02:01.221-07:00Thomas and Steve's article "<a href="http://arxiv.org/abs/1709.03460"><span style="font-size: small;"><span style="font-family: "NimbusSanL";">Chemical accuracy from small, system-adapted basis functions</span></span></a><span class="bibtitle">" was posted to the <a href="http://arxiv.org/abs/1709.03460">ArXiv</a>!</span><br />
<br />
<span class="bibtitle"><span style="font-size: small;">Check it out on our <a href="http://dft.uci.edu/publications.php#publications">publications page</a>!</span></span>Anonymousnoreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-33771171282068997462017-06-27T11:33:00.000-07:002017-06-27T11:33:43.380-07:00Zeng-hui and Aurora's paper " Direct extraction of excitation energies from ensemble density functional theory", has been accepted to Physical Review Letters!<br />
<br />
Check it out on our <a href="http://dft.uci.edu/publications.php#publications">publications</a> page!The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-46533962795265628882017-04-13T15:26:00.000-07:002017-04-13T15:26:15.615-07:00Li, Thomas, and Steve's article "<a href="http://link.aps.org/doi/10.1103/PhysRevB.94.245129"><span class="bibtitle">Pure density functional for strong correlation and the thermodynamic limit from machine learning</span></a><span class="bibtitle">" was highlighted at a Press conference at the 2017 March APS meeting!</span><br />
<br />
<span class="bibtitle">Check out the press article in APS news <a href="http://www.aps.org/publications/apsnews/201704/mining.cfm">here</a> and a blog post from Physics World <a href="http://blog.physicsworld.com/2017/03/14/aps-sees-friction-as-fracture-cat-pictures-and-brain-implants/">here</a>. </span> <span class="bibauthor"></span>Anonymousnoreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-30747715172693216112017-03-09T10:40:00.001-08:002017-03-09T10:40:13.994-08:00Congratulations to Kieron for being named a fellow of the <a href="https://en.wikipedia.org/wiki/Royal_Society_of_Chemistry">British Royal Society of Chemistry</a>!The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-20697442232756639202017-03-09T10:35:00.002-08:002017-03-09T10:35:47.149-08:00Raphael and Kieron's paper, "Leading corrections to local approximations II: the case with turning points " has appeared in Phys. Rev B.<br />
<br />
John, Weitao, Kieron, and Zenghui's paper, "Understanding Band Gaps of Solids in Generalized Kohn-Sham Theory" has appeared in PNAS.<br />
<br />
<br class="Apple-interchange-newline" />Check it out on our <a href="http://dft.uci.edu/publications.php#publications">publications</a> page!The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-63774991695475333232016-12-21T13:24:00.000-08:002016-12-21T13:24:26.166-08:00Li, Thomas, and Steve' article " <span class="bibtitle">Pure density functional for strong correlation and the thermodynamic limit from machine learning</span>", has appeared in Physical Review B!<br />
<br />
Check it out on our <a href="http://dft.uci.edu/publications.php#publications">publications</a> page!The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-91968301401752147002016-11-14T11:58:00.000-08:002016-11-14T11:58:01.165-08:00Li, Thomas, and Steve' article " <span class="bibtitle">Pure density functional for strong correlation and the thermodynamic limit from machine learning</span>" has been accepted at Phys. Rev. B!<br />
<br />
Check it out on our <a href="http://dft.uci.edu/publications.php#publications">publications</a> page.Anonymousnoreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-54060888428561314642016-09-13T02:40:00.000-07:002016-09-16T01:09:00.116-07:00Li, 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 <a href="https://arxiv.org/abs/1609.03705">arxiv</a> or our <a href="http://dft.uci.edu/publications.php#publications">publications</a> page!Anonymousnoreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-63509576573139028522016-09-12T11:36:00.002-07:002016-09-12T11:36:56.905-07:00<span style="background-color: white; color: #222222; font-family: Arial, Tahoma, Helvetica, FreeSans, sans-serif; font-size: 13.2px; line-height: 18.48px;">Felix, Li, Kieron, and Klaus-Robert have submitted a paper, "By-passing the Kohn-Sham equations with machine learning".</span><br style="background-color: white; color: #222222; font-family: Arial, Tahoma, Helvetica, FreeSans, sans-serif; font-size: 13.2px; line-height: 18.48px;" /><br style="background-color: white; color: #222222; font-family: Arial, Tahoma, Helvetica, FreeSans, sans-serif; font-size: 13.2px; line-height: 18.48px;" /><span style="background-color: white; color: #222222; font-family: Arial, Tahoma, Helvetica, FreeSans, sans-serif; font-size: 13.2px; line-height: 18.48px;">Check it out in our </span><a href="http://dft.uci.edu/publications.php#publications" style="background-color: white; color: #888888; font-family: Arial, Tahoma, Helvetica, FreeSans, sans-serif; font-size: 13.2px; line-height: 18.48px; text-decoration: none;">Publications </a><span style="background-color: white; color: #222222; font-family: Arial, Tahoma, Helvetica, FreeSans, sans-serif; font-size: 13.2px; line-height: 18.48px;">page!</span>The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-61045746418721259132016-06-14T15:54:00.000-07:002016-06-14T15:54:45.188-07:00Justin 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!<br />
<br />
Check it out in our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-11747888189300977362016-06-11T18:16:00.000-07:002016-06-11T18:16:10.155-07:00Aurora 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!<br />
<br />
Check it out in our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-37429552395459304312016-05-23T19:43:00.000-07:002016-05-23T19:43:11.922-07:00Aurora's paper, "Connection formulas for thermal density functional theory" has appeared in Physical Review B.<br />
<div>
<br />
Justin and Aurora's paper "Thermal corrections to density functional simulations of warm dense matter" has been accepted to Physical Review B.<br />
<br />
Check them all out in our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!</div>
The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-45368830959984855262016-05-17T00:34:00.000-07:002016-05-17T17:26:58.504-07:00Yang, Kieron, and Weitao's paper, "Accurate atomic quantum defects from particle-particle random phase approximation" has appeared online in the journal Molecular Physics.<br />
<br />
<div>
Check it out in our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!</div>
The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-27639450412603249722016-05-12T14:02:00.000-07:002016-05-12T14:02:29.250-07:00Justin, 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.<br />
<br />
Aurora's paper, "Connection formulas for thermal density functional theory" has been accepted to Physics Review B.<br />
<div>
<br />
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.<br />
<br />
Check them all out in our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!</div>
The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-51196483769733629182016-05-03T17:22:00.000-07:002016-05-03T17:22:21.034-07:00<br /><br /><br />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.<div>
<br />Check it out on our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!<br /><table cellpadding="0" cellspacing="0" class="t1"><tbody>
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The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-12796090583256718942016-01-25T10:31:00.000-08:002016-01-25T10:31:06.501-08:00
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<span style="color: #660066; font-family: ErasITC; font-size: 26pt;">Putting the Theory Back in
Density Functional Theory: </span><span style="color: #333333; font-family: ErasITC; font-size: 23pt;">A Summer School </span><br />
<span style="color: #333333; font-family: ErasITC; font-size: 23pt;"><br /></span>
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<span style="font-family: 'ProximaNova'; font-size: 14.000000pt; font-weight: 700;">Scientific Overview
</span><br />
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<span style="font-family: ErasITC; font-size: 12pt;">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.
</span><br />
<span style="font-family: ErasITC; font-size: 12pt;">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.
</span><br />
<span style="font-family: 'ProximaNova'; font-size: 14.000000pt; font-weight: 700;">Confirmed Speakers
</span><br />
<span style="font-family: ErasITC; font-size: 12pt;">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).
</span><br />
<span style="font-family: 'ProximaNova'; font-size: 14.000000pt; font-weight: 700;">Participation
</span><br />
<span style="font-family: ErasITC; font-size: 12pt;">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.
</span><br />
<span style="font-family: 'ProximaNova'; font-size: 14.000000pt; font-weight: 700;">Application
</span><br />
<span style="font-family: ErasITC; font-size: 12pt;">Deadline: May 1, 2016<br />
Link: https://www.mathprograms.org/db/programs/418
</span><br />
<span style="font-family: ErasITC; font-size: 14pt;">www.ipam.ucla.edu/dft2016</span><br />
<span style="font-family: ErasITC; font-size: 14pt;"><br /></span>
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The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-74141750330978079892015-12-16T15:26:00.001-08:002015-12-16T15:26:24.469-08:00Li and John's long paper "<b>Understanding machine-learned density functionals" </b>has been appeared online!<br />
<br />
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<span class="s1">Check it out on <a href="http://onlinelibrary.wiley.com/doi/10.1002/qua.25040/full">International Journal of Quantum Chemistry</a> or on our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!</span></div>
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The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-48801943338273119492015-11-12T15:00:00.000-08:002015-11-12T15:00:00.436-08:00<span style="font-size: large;">Kieron</span><span style="font-size: large;">, Justin</span><span style="font-size: large;">, Paul and</span><span style="font-size: large;"> Aurora have submitted a new paper:</span><br />
<span style="font-size: large;"><br /></span>
<a href="http://arxiv.org/abs/1511.02194" style="background: rgb(255, 255, 255); border: 0px; color: #333333; cursor: pointer; font-family: Arial, Helvetica, sans-serif; font-size: 12px; line-height: 18px; margin: 0px; outline: 0px; padding: 0px; vertical-align: top;"><span class="bibtitle" style="background: transparent; border: 0px; font-weight: bold; margin: 0px; outline: 0px; padding: 0px; vertical-align: top;">Exact conditions on the temperature dependence of density functionals</span></a><span style="background-color: white; color: #3c3c3c; font-family: Arial, Helvetica, sans-serif; font-size: 12px; line-height: 18px;"> </span><span class="bibauthor" style="background: rgb(255, 255, 255); border: 0px; color: #3c3c3c; font-family: Arial, Helvetica, sans-serif; font-size: 12px; line-height: 18px; margin: 0px; outline: 0px; padding: 0px; vertical-align: top;">Kieron Burke, Justin Smith, Paul E. Grabowski, Aurora Pribram-Jones</span><span style="background-color: white; color: #3c3c3c; font-family: Arial, Helvetica, sans-serif; font-size: 12px; line-height: 18px;">,</span><span class="bibbooktitle" style="background: rgb(255, 255, 255); border: 0px; color: #3c3c3c; font-family: Arial, Helvetica, sans-serif; font-size: 12px; font-style: italic; line-height: 18px; margin: 0px; outline: 0px; padding: 0px; vertical-align: top;">submitted and ArXiv:1511.02194</span><span style="background-color: white; color: #3c3c3c; font-family: Arial, Helvetica, sans-serif; font-size: 12px; line-height: 18px;"> (2015).</span><table cellpadding="0" cellspacing="0" class="t1"><tbody>
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<span class="s1"><br /></span></div>
<div class="p1">
<span class="s1">Check it out on our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!</span></div>
</td></tr>
</tbody></table>
The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-27879751969920805982015-10-27T15:27:00.002-07:002015-10-27T15:27:58.592-07:00Kieron submitted a new paper "<b>Accurate atomic quantum defects from particle-particle random phase approximation</b>" with Yang Yang and Weitao Yang on Special Issue of Molecular Physics in Honour of Andreas Savin.<br />
<br />
Check it on our <a href="http://dft.uci.edu/publications.php#publications">publication</a> page!<br />
The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-11397827457287265882015-10-20T18:42:00.003-07:002015-10-20T18:42:29.580-07:00<span style="font-size: large;">Raphael has submitted a new paper:</span><br />
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<span class="s1"><a href="http://arxiv.org/abs/1510.05676"><b>Uniform semiclassical approximations for one-dimensional fermionic systems</b></a></span><span class="s2"> Raphael F. Ribeiro, Kieron Burke, <i>submitted and ArXiv:1510.05676</i> (2015).</span></div>
</td>
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<span class="s1"><br /></span></div>
<div class="p1">
<span class="s1">Check it out on our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!</span></div>
</td></tr>
</tbody></table>
The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-60702362758086208842015-09-24T12:00:00.005-07:002015-09-24T12:00:55.757-07:00<span style="font-size: large;">Aurora, Paul, Justin have submitted three papers:</span><br />
<span style="font-size: large;"><br /></span>
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<span class="s2"><a href="http://arxiv.org/abs/1509.03071"><b>Linear-response thermal time-dependent density functional theory</b></a></span><span class="s1"> Aurora Pribram-Jones, Paul E. Grabowski, Kieron Burke, <i>submitted and ArXiv:1509.03071</i> (2015).</span></div>
</td>
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<br /></div>
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<span class="s2"><a href="http://arxiv.org/abs/1509.03060"><b>Connection formula for thermal density functional theory</b></a></span><span class="s1"> Aurora Pribram-Jones, Kieron Burke, <i>submitted and ArXiv:1509.03060</i> (2015).</span></div>
</td>
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<td class="td1" valign="top">
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<br /></div>
</td>
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<span class="s2"><a href="http://arxiv.org/abs/1509.03097"><b>Thermal Corrections to Density Functional Simulations of Warm Dense Matter</b></a></span><span class="s1"> Justin Smith, Aurora Pribram-Jones, Kieron Burke, <i>submitted and ArXiv:1509.03097</i> (2015).</span></div>
<div class="p1">
<span class="s1"><br /></span></div>
<div class="p1">
<span class="s1">Check it out on our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!</span></div>
</td>
</tr>
</tbody>
</table>
The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-158160326432084882015-09-24T11:58:00.003-07:002015-09-24T11:58:30.520-07:00Justin's paper "<span class="bibtitle">The Hubbard Dimer: A density functional case study of a many-body problem" with Diego and Jaime has been accepted and appeared on </span><i>Journal of Physics: Condensed Matter</i>!<br />
<br />
Check it out on our <a href="http://dft.uci.edu/publications.php#publications">Publications </a>page!The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-76066993882734899662015-09-20T17:36:00.000-07:002015-09-20T17:36:42.134-07:00Min-Cheol and Eunji's latest paper <a href="http://pubs.acs.org/doi/10.1021/acs.jpclett.5b01724">Improved DFT Potential Energy Surfaces via Improved Densities</a> just appeared online!<br />
<br />
Check it out <a href="http://pubs.acs.org/doi/10.1021/acs.jpclett.5b01724">here</a> or on our <a href="http://dft.uci.edu/publications.php#publications">Publications</a> page!Anonymousnoreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-28108879509222993092015-08-04T12:10:00.001-07:002015-08-04T12:10:06.638-07:00
Peter Elliott, Attila Cangi and Stefano Pittalis's paper, "Almost exact exchange at almost no computational cost in electronic structure calculations", was just accepted at Phys. Rev. A!<br />
<br />
Check it out on our <a href="http://dft.uci.edu/publications.php#publications">publications</a> page!The Burke Grouphttp://www.blogger.com/profile/04532430527060974739noreply@blogger.com0tag:blogger.com,1999:blog-4452283926678200783.post-42250640397227891512015-06-25T15:41:00.002-07:002015-06-25T15:41:39.728-07:00Thomas, Miles, Lucas, and Steve's paper " <a href="http://link.aps.org/doi/10.1103/PhysRevB.91.235141"><span class="bibtitle">One-dimensional mimicking of electronic structure: The case for exponentials</span></a>" has just appeared in <i>Phys. Rev. B</i>!<br />
<br />
Check it out <a href="http://link.aps.org/doi/10.1103/PhysRevB.91.235141">here</a> or on our <a href="http://dft.uci.edu/publications.php#publications">publications page</a>.Anonymousnoreply@blogger.com0