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X-WR-CALNAME:(TD)DFT Student Seminar Series
X-ORIGINAL-URL:https://sites.rutgers.edu/dft-student-seminar
X-WR-CALDESC:Events for (TD)DFT Student Seminar Series
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DTSTART:20210314T060000
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DTSTART;TZID=America/Halifax:20210810T100000
DTEND;TZID=America/Halifax:20210810T140000
DTSTAMP:20260430T185646
CREATED:20210724T193407Z
LAST-MODIFIED:20210810T191316Z
UID:808-1628589600-1628604000@sites.rutgers.edu
SUMMARY:Session #6
DESCRIPTION:This session will be held on Zoom on Tuesday\, August 10th at 8am-10am PST\, 11am-1pm EST\, 5pm-7pm CET\, 1am-3am AEST. For each invited research group\, the presentation consists of a 30-minutes talk or two 15-minutes talks\, allowing students to present some recent work on DFT and/or TDDFT theory development. Each talk is preceded by a brief introduction of the presenter and followed by 10 minutes for discussion. \n\n11:00 \nIntroduction \n\nChair: Juri Grossi (University of California\, Merced)\n\n\n11:00-11:40 \nQuantum DFT-Embedding Algorithm for Electronic Structure Calculations \n\nPresenter: Max Rossmannek (IBM Research Zurich)\nIntroduction by: Panagiotis Barkoutsos (IBM Research Zurich)\nSupervisor: Ivano Tavernelli (IBM Research Zurich)\n\n\n11:40-12:20 \nNuclear–Electronic Orbital Time-Dependent Density Functional Theory: Excited State Energies\, Geometries and Dynamics \n\nPresenter: Coraline Tao (Yale University)\nIntroduction by: Saswata Roy (Yale University)\nSupervisor: Sharon Hammes-Schiffer (Yale University)\n\nWatch the Video \n\n12:20-13:00 \nExchange-correlation kernels with density-based ingredients \n\nPresenter: Santosh Neupane (Temple University)\nIntroduction by: Niraj Nepal (Temple University)\nSupervisor: Adrienn Ruzsinszky (Temple University)\n\nWatch the Video
URL:https://sites.rutgers.edu/dft-student-seminar/event/session-6/
LOCATION:Zoom\, NJ
CATEGORIES:Public Events
ORGANIZER;CN="Rutgers University":MAILTO:liolacombe@gmail.com
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Halifax:20210803T100000
DTEND;TZID=America/Halifax:20210803T140000
DTSTAMP:20260430T185646
CREATED:20210627T094354Z
LAST-MODIFIED:20210804T125459Z
UID:640-1627984800-1627999200@sites.rutgers.edu
SUMMARY:Session #5
DESCRIPTION:The weekly seminar is held on Zoom every Tuesday at 7am–11am PST\, 10am–2pm EST\, 4pm–8pm CET\, 0pm-4am AEST. For each invited research group\, the presentation consists of a 30-minutes talk or two 15-minutes talks\, allowing students to present some recent work on DFT and/or TDDFT theory development. Each talk is preceded by a brief introduction of the presenter and followed by 10 minutes for discussion. \n\n10:00-10:10 \nIntroduction \n\nChair: Thomas E. Baker (University of York)\n\n\n10:10-10:50 \nDFT Surrogate modeling with the Materials Learning Algorithms (MALA) – Theoretical Background \n\nPresenter: Lenz Fiedler (Helmholtz-Zentrum Dresden-Rossendorf)\nIntroduction by: Timothy James Callow (Helmholtz-Zentrum Dresden-Rossendorf)\nSupervisor: Attila Cangi (Helmholtz-Zentrum Dresden-Rossendorf)\n\nWatch the Video \n\n10:50-11:30 \nMachine learning the derivative discontinuity of density-functional theory \n\nPresenter: Johannes Gedeon (Martin-Luther-Universität Halle-Wittenberg)\nIntroduction by: Miguel Marques (Martin-Luther-Universität Halle-Wittenberg)\nSupervisor: Miguel Marques (Martin-Luther-Universität Halle-Wittenberg)\n\n\n11:30-11:50 \nBreak \n\n11:50-12:30 \nConstrained Machine Learning de-orbitalization of meta-GGA exchange-correlation functionals \n\nPresenter: Kanun Pokharel (Tulane University)\nIntroduction by: James Furness (Tulane University)\nSupervisor: Jianwei Sun (Tulane University)\n\nWatch the Video \n\n12:30-13:10 \nMachine learning density functionals: Testing the Kohn-Sham regularizer for strongly and weakly correlated systems \n\nPresenter: Bhupalee Kalita (University of California\, Irvine)\nIntroduction by: Ryan J. McCarty (University of California\, Irvine)\nSupervisor: Kieron Burke (University of California\, Irvine)\n\n\n13:10-13:50 \nStatistical learning of electron dynamics in molecular systems \n\nPresenter: Karnamohit Ranka (University of California\, Merced)\nIntroduction by: Sapana Soni (University of California\, Merced)\nSupervisor: Christine Isborn (University of California\, Merced)\n\nWatch the Video
URL:https://sites.rutgers.edu/dft-student-seminar/event/session-5/
LOCATION:Zoom\, NJ
CATEGORIES:Public Events
ORGANIZER;CN="Rutgers University":MAILTO:liolacombe@gmail.com
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Halifax:20210727T100000
DTEND;TZID=America/Halifax:20210727T140000
DTSTAMP:20260430T185646
CREATED:20210623T211914Z
LAST-MODIFIED:20210728T150419Z
UID:630-1627380000-1627394400@sites.rutgers.edu
SUMMARY:Session #4
DESCRIPTION:The weekly seminar is held on Zoom every Tuesday at 7am–11am PST\, 10am–2pm EST\, 4pm–8pm CET\, 0pm-4am AEST. For each invited research group\, the presentation consists of a 30-minutes talk or two 15-minutes talks\, allowing students to present some recent work on DFT and/or TDDFT theory development. Each talk is preceded by a brief introduction of the presenter and followed by 10 minutes for discussion. \n\n10:00-10:10 \nIntroduction \n\nChair: Sara Giarrusso (University of California\, Merced)\n\n\n10:10-10:30 \nDensity-driven correlations in ensemble density-functional theory \n\nPresenter: Filip Cernatic (Université de Strasbourg)\nIntroduction by: Sajanthan Sekaran (Université de Strasbourg)\nSupervisor: Emmanuel Fromager (Université de Strasbourg)\n\nWatch the Video \n\n10:30-10:50 \nHouseholder transformed density matrix functional embedding theory \n\nPresenter: Sajanthan Sekaran (Université de Strasbourg)\nIntroduction by: Sajanthan Sekaran (Université de Strasbourg)\nSupervisor: Emmanuel Fromager (Université de Strasbourg)\n\nWatch the Video \n\n10:50-11:30 \nSteady-State Density Functional Theory for Electronic and Thermal Transport \n\nPresenter: Nahual Sobrino (University of the Basque Country)\nIntroduction by: Stefan Kurth (University of the Basque Country)\nSupervisor: Stefan Kurth (University of the Basque Country)\n\n\n11:30-11:50 \nBreak \n\n11:50-12:30 \nExchange-correlation density functionals with spin-density accuracy for open shells \n\nPresenter: Benjamin J. Pearce (Durham University)\nIntroduction by: Timothy James Callow (Helmholtz-Zentrum Dresden-Rossendorf)\nSupervisor: Nikitas Gidopoulos (Durham University)\n\nWatch the Video \n\n12:30-13:10 \nTowards a density functional theory of molecular fragments \n\nPresenter: Víctor Chávez (Purdue University)\nIntroduction by: Adam Wasserman (Purdue University)\nSupervisor: Adam Wasserman (Purdue University)\n\nWatch the Video \n\n13:10-13:50 \nAdiabatic connection approaches to thermal density functional theory \n\nPresenter: Brittany Harding (University of California\, Merced)\nIntroduction by: Juri Grossi (University of California\, Merced)\nSupervisor: Aurora Pribram-Jones (University of California\, Merced)\n\nWatch the Video
URL:https://sites.rutgers.edu/dft-student-seminar/event/session-4/
LOCATION:Zoom\, NJ
CATEGORIES:Public Events
ORGANIZER;CN="Rutgers University":MAILTO:liolacombe@gmail.com
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Halifax:20210720T100000
DTEND;TZID=America/Halifax:20210720T140000
DTSTAMP:20260430T185646
CREATED:20210623T172228Z
LAST-MODIFIED:20210725T134627Z
UID:616-1626775200-1626789600@sites.rutgers.edu
SUMMARY:Session #3
DESCRIPTION:The weekly seminar is held on Zoom every Tuesday at 7am–11am PST\, 10am–2pm EST\, 4pm–8pm CET\, 0pm-4am AEST. For each invited research group\, the presentation consists of a 30-minutes talk or two 15-minutes talks\, allowing students to present some recent work on DFT and/or TDDFT theory development. Each talk is preceded by a brief introduction of the presenter and followed by 10 minutes for discussion. \n\n10:00-10:10 \nIntroduction \n\nChair: Stephen Dale (The University of Sydney)\n\n\n10:10-10:50 \nForces from stochastic density functional theory in a local basis-set representation \n\nPresenter: Ben Shpiro (The Hebrew University of Jerusalem)\nIntroduction by: Marcel Fabian (The Hebrew University of Jerusalem)\nSupervisor: Roi Baer (The Hebrew University of Jerusalem)\n\nWatch the Video \n\n10:50-11:30 \nLondon Dispersion Interactions without Density Distortion: the Fixed Diagonal Matrices (FDM) formalism  \n\nPresenter: Derk Kooi (Vrije Universiteit Amsterdam)\nIntroduction by: Derk Kooi (Vrije Universiteit Amsterdam)\nSupervisor: Paola Gori-Giorgi (Vrije Universiteit Amsterdam)\n\nWatch the Video \n\n11:30-11:50 \nBreak \n\n11:50-12:30 \nVariations of the Hartree-Fock fractional-spin error for one electron \n\nPresenter: Clotilde Marut (Université Paul Sabatier)\nIntroduction by: Fabris Kossoski (Université Paul Sabatier)\nSupervisor: Pierre-Francois Loos (Université Paul Sabatier)\n\nWatch the Video \n\n12:30-13:10 \nThe Quest for an LDA Functional in Quantum Electrodynamics \n\nPresenter: Vasil Rokaj (Max Planck Institute)\nIntroduction by: Michael Ruggenthaler (Max Planck Institute)\n\nSupervisor: Angel Rubio (Max Planck Institute)\n\nWatch the Video
URL:https://sites.rutgers.edu/dft-student-seminar/event/session-3/
LOCATION:Zoom\, NJ
CATEGORIES:Public Events
ORGANIZER;CN="Rutgers University":MAILTO:liolacombe@gmail.com
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Halifax:20210713T100000
DTEND;TZID=America/Halifax:20210713T140000
DTSTAMP:20260430T185646
CREATED:20210619T170023Z
LAST-MODIFIED:20210725T133455Z
UID:589-1626170400-1626184800@sites.rutgers.edu
SUMMARY:Session #2
DESCRIPTION:The weekly seminar is held on Zoom every Tuesday at 7am–11am PST\, 10am–2pm EST\, 4pm–8pm CET\, 0pm-4am AEST. For each invited research group\, the presentation consists of a 30-minutes talk or two 15-minutes talks\, allowing students to present some recent work on DFT and/or TDDFT theory development. Each talk is preceded by a brief introduction of the presenter and followed by 10 minutes for discussion. \n\n10:00-10:10 \nIntroduction \n\nChair: Ryan Requist (The Hebrew University of Jerusalem)\n\n\n10:10-10:50 \nImportance of error decomposition in empirical density functionals \n\nPresenter: Suhwan Song (Yonsei University)\nIntroduction by: Eun Ji Sim (Yonsei University)\nSupervisor: Eun Ji Sim (Yonsei University)\n\n\n10:50-11:10 \nBand gaps of crystalline solids from Wannier-localization based optimal tuning of a screened range-separated hybrid functional \n\nPresenter: Guy Ohad (Weizmann Institute of Science)\nIntroduction by: Dahvyd Wing (Weizmann Institute of Science)\nSupervisor: Leeor Kronik (Weizmann Institute of Science)\n\n\n11:10-11:30 \nAn optimal tuning perspective of range-separated double hybrid functionals \n\nPresenter: Georgia Prokopiou (Weizmann Institute of Science)\nIntroduction by: Dahvyd Wing (Weizmann Institute of Science)\nSupervisor: Leeor Kronik (Weizmann Institute of Science)\n\n\n11:30-11:50 \nBreak \n\n11:50-12:30 \nNew approximation to the exchange correlation potential using connector theory \n\nPresenter: Ayoub Aouina (Laboratoire des solides irradiés\, École polytechnique)\nIntroduction by: Vitaly Gorelov (Laboratoire des solides irradiés\, École polytechnique)\nSupervisor: Lucia Reining (Laboratoire des solides irradiés\, École polytechnique)\n\nWatch the Video \n\n12:30-13:10 \nOn the relationship between the Kohn-Sham potential\, the Paulipotential\, and the Exact Electron Factorization \n\nPresenter: Jakub Kocak (ETH Zürich)\nIntroduction by: Axel Schild (ETH Zürich)\nSupervisor: Axel Schild (ETH Zürich)\n\nWatch the Video \n\n13:10-13:50 \nChemical accuracy at low computational cost: Optimizing sigma-functionals for the Kohn-Sham correlation energy for different input orbitals and eigenvalues \n\nPresenter : Steffen Fauser (Universität Erlangen-Nürnberg)\nIntroduction by: Egor Trushin (Universität Erlangen-Nürnberg)\nSupervisor: Andreas Görling (Universität Erlangen-Nürnberg)\n\n\nWatch the Video
URL:https://sites.rutgers.edu/dft-student-seminar/event/session-2/
LOCATION:Zoom\, NJ
CATEGORIES:Public Events
ORGANIZER;CN="Rutgers University":MAILTO:liolacombe@gmail.com
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Halifax:20210706T100000
DTEND;TZID=America/Halifax:20210706T140000
DTSTAMP:20260430T185646
CREATED:20210523T220247Z
LAST-MODIFIED:20210725T133934Z
UID:546-1625565600-1625580000@sites.rutgers.edu
SUMMARY:Session #1
DESCRIPTION:The weekly seminar is held on Zoom every Tuesday at 7am–11am PST\, 10am–2pm EST\, 4pm–8pm CET\, 0pm-4am AEST. For each invited research group\, the presentation consists of a 30-minutes talk or two 15-minutes talks\, allowing students to present some recent work on DFT and/or TDDFT theory development. Each talk is preceded by a brief introduction of the presenter and followed by 10 minutes for discussion. \n\n10:00-10:10 \nIntroduction \n\nChair: Lionel Lacombe (Rutgers University-Newark)\n\n\n10:10-10:50 \nExact time-dependent density functional theory for non-perturbative dynamics of helium atom \n\nPresenter: Davood Dar (Rutgers University-Newark)\nIntroduction by: Lionel Lacombe (Rutgers University-Newark)\nSupervisor: Neepa Maitra (Rutgers University-Newark)\n\nWatch the Video \n\n10:50-11:30 \nFrom the ground state to ultranonlocal effects: An analysis of exchange-correlation kernels for the uniform electron gas \n\nPresenter: Aaron Kaplan (Temple University)\nIntroduction by: Niraj Nepal (Temple University)\nSupervisor: John Perdew (Temple University)\n\nWatch the Video \n\n11:30-11:50 \nBreak \n\n11:50-12:30 \nTime-dependent exciton wavefunctions from TDDFT \n\nPresenter: Jared Williams (University of Missouri-Columbia)\nIntroduction by: Carsten Ullrich (University of Missouri-Columbia)\nSupervisor: Carsten Ullrich (University of Missouri-Columbia)\n\nWatch the Video \n\n12:30-13:10 \nRenormalized singles Green’s function in Bethe-Salpeter equation for accurate excitation energy \n\nPresenter: Jiachen Li (Duke University)\nIntroduction by: Weitao Yang (Duke University)\nSupervisor: Weitao Yang (Duke University)\n\nWatch the Video \n\n13:10-13:50 \nSolving Casida’s equations for huge molecules \n\nPresenter: Nambi Mohanam (University of California\, Irvine)\nIntroduction by: Sourav Majumdar (University of California\, Irvine)\nSupervisor: Filipp Furche (University of California\, Irvine)
URL:https://sites.rutgers.edu/dft-student-seminar/event/session-1/
LOCATION:Zoom\, NJ
CATEGORIES:Public Events
ORGANIZER;CN="Rutgers University":MAILTO:liolacombe@gmail.com
END:VEVENT
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