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X-WR-CALDESC:Events for ACS Technical Division
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DTSTART:20200101T000000
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BEGIN:VEVENT
DTSTART;VALUE=DATE:20210822
DTEND;VALUE=DATE:20210826
DTSTAMP:20260415T031153
CREATED:20210813T154730Z
LAST-MODIFIED:20210819T145944Z
UID:5124-1629590400-1629935999@phys-acs.org
SUMMARY:ACS Fall 2021 - Prominent Ideas in Quantum Chemistry Symposia Schedule
DESCRIPTION:Prominent Ideas in Quantum Chemistry Symposium\nFall 2021 National American Chemical Society Meeting \nAll times are Eastern daylight time. Zoom links will be provided on the ACS meeting page on the day of each session. Locate the session on the virtual platform\, then click the link. \n8/22 - Sunday\n\nOpening Session (2:00 – 4:00 p.m.)\nPresider: Christine Aikens \n2:00 p.m. Important concepts and computational methods in chemical dynamics\nDonald Truhlar \n2:40 p.m. Quantum Chemistry and Computer Science: A Tightly Connected Parallel Development\nFritz Schaefer \n3:20 p.m. Ab initio and density functional approaches across the periodic table: From basis sets to composites\nAngela Wilson \n\nBonding and MO Theory (4:30 – 6:30 p.m.)\nPresider: Hrant Hratchian \n4:30 p.m. From Electrons and Nuclei to Atoms and Bonds\nKlaus Ruedenberg \n5:10 p.m. Understanding intermolecular interactions and chemical bonding via energy decomposition analysis\nMartin Head-Gordon \n5:50 p.m. Beyond MO Theory: SCGVB Theory of the Electronic Structure of Molecules \nThom Dunning \n\nEvening Session (7:00 – 9:00 p.m.)\nPresider: Yihan Shao \n7:00 p.m. Avoiding integrals in quantum chemical calculations\nPeter Gill \n7:40 p.m. From energy-domain to time-domain in quantum chemistry: Nonadiabatic electron dynamics\nKazuo Takatsuka \n8:20 p.m. Free-complement theory for solving the Schrödinger equation of atoms and molecules\nHiroshi Nakatsuji \nTentative Evening “Reception” (9:00 – 10:00 p.m.) TBA \n8/23 - Monday\n\nBonding and Molecular Properties (10:30 a.m. – 12:30 p.m.)\nPresider: Eugene DePrince \n10:30 a.m. Chemical Bonding and Valence\nGernot Frenking \n11:10 a.m. The Mysteries of Chirality\, Solvation\, and Optical Activity\nT. Daniel Crawford \n11:50 a.m. Computational Analysis of NMR Chemical Shift: Relationship to Bonding\nOdile Eisenstein \n\nPotential Energy Surface Exploration (2:00 – 4:00 p.m.)\nPresider: Emilie Guidez \n2:00 p.m. Analytical derivatives in quantum chemistry\nPeter Pulay \n2:40 p.m. Exploring Molecular Potential Energy Surfaces Using Energy Derivatives\nH. B. Schlegel \n3:20 p.m. Pericyclic transition states and energies of concert\nKendall Houk \n\nDFT and NEO-DFT (4:30 – 6:30 p.m.)\nPresider: Fang Liu \n4:30 p.m. A Density-Functional Model of London Dispersion\nErin Johnson \n5:10 p.m. Density Functional Theory: Correcting Systematic Errors and Predicting\nPhotoemission and Photoexcitation Spectroscopy from Ground State Calculations\nWeitao Yang \n5:50 p.m. Nuclear-electronic orbital methods in quantum chemistry\nSharon Hammes-Schiffer \n8/24 - Tuesday\n\nAmazing Applications (10:30 a.m. – 12:30 p.m.)\nPresider: Devin Matthews \n10:30 a.m. Oriented Electric Fields as Future Smart Reagents in Chemistry\nSason Shaik \n11:10 a.m. Ab initio predictions with chemical accuracy for heterogeneous catalysis and adsorption\nJoachim Sauer \n11:50 a.m. Using quantum chemistry to describe plasmonic excited states\nGeorge Schatz \n\nLarge Systems and Embedding (2:00 – 4:00 p.m.)\nPresider: Joshua Kretchmer \n2:00 p.m. Enabling accurate calculations on large molecular systems\nMark Gordon \n2:40 p.m. Quantum chemistry off the beaten path\nEmily Carter \n3:20 p.m. Embedding theories for quantum simulations on hybrid classical-quantum architectures\nGiulia Galli \n8/25 - Wednesday\n\nMultireference Methods (10:30 a.m. – 12:30 p.m.)\nPresider: Ramón Miranda Quintana \n10:30 a.m. Electronic Structure Challenges for Strongly Correlated Systems\nLaura Gagliardi \n11:10 a.m. Taming strong correlation by flipping one spin at a time\nAnna Krylov \n11:50 a.m. New Wavefunction Forms for Describing Multireference Systems: Why\, How\, and What Next?\nPaul Ayers \n\nMany-Body and Machine Learning Methods (2:00 – 4:00 p.m.)\nPresider: Lan Cheng \n2:00 p.m. Coupled cluster revolution\nRodney Bartlett \n2:40 p.m. Efficient Reduced-Scaling Many-Body Electronic Structure Methods\nEdward Valeev \n3:20 p.m. Ab initio based deep neural network simulations of aqueous TiO 2 interfaces \nAnnabella Selloni
URL:https://phys-acs.org/event/acs-fall-2021-prominent-ideas-in-quantum-chemistry-symposia-schedule/
END:VEVENT
BEGIN:VEVENT
DTSTART;VALUE=DATE:20210822
DTEND;VALUE=DATE:20210827
DTSTAMP:20260415T031153
CREATED:20210808T182749Z
LAST-MODIFIED:20210819T141344Z
UID:5026-1629590400-1630022399@phys-acs.org
SUMMARY:ACS Fall 2021 - Advances in Nonlinear Optics at Interfaces Symposium
DESCRIPTION:We thank our generous sponsors for their support! \n  \nOrganizers: Alex V. Benderskii\, Yi Rao\nLocation: Georgia World Congress Center: B312-B313a / Virtual\nSymposia Schedule:\n8/22 - Sunday\n\nSUNDAY MORNING \nMoF. Geiger\, Y. Liu\, H. Lu\, & E.C. Yan\, Presiding \n8:00 Introductory Remarks. \n8:20. Liquid and reaction dynamics in nanoporous silica probed with\ninfrared experiments. M.D. Fayer \n9:00. Single-molecule interfacial electron transfer dynamics. H. Lu \n9:40. Vibrational sum frequency generation spectroscopy of clay\nnanoscrolls. A.E. Vaughn\, A. Montenegro\, S. Falcon\, M. Mammetkuliyev\,\nB.C. Melot\, A.V. Benderskii \nBREAK \n10:30. Probing complex interfaces. R.J. Saykally \n11:10. Chiral sum frequency generation spectroscopy shows mirror-\nimage β-sheet proteins organize water molecules into supermolecular\nstructures of opposite chirality. E.A. Perets\, D. Konstantinovsky\, S. Hammes-Schiffer\, E.C. Yan \n11:50. Two-Dimensional electronic sum frequency generation\n(2D-ESFG) and electronic second harmonic generation (2D-ESHG)\nspectroscopies for studies of interfaces and surfaces.\nY. Rao\, G. Deng\, Y. Qian \n\nSUNDAY AFTERNOON \nF. Geiger\, Y. Liu\, H. Lu\, & E.C. Yan\, Presiding \n2:00. Molecular adsorption and transport at living cell membranes by\nsecond harmonic light scattering and microscopy. H. Dai \n2:40. Hydrogen-bond induced molecular chirality at\nsurfaces/interfaces with nonlinear vibrational spectroscopy. H. Wang \n3:20. Measuring the free energy orienting potential of water\nmolecules at a graphene electrode. A.V. Benderskii \nE. Borguet\, B. Doughty\, M. Subir\, A. Benderskii\, Presiding \n4:30. Water at electrified graphene interfaces: Structure\,\ndynamics\, and spectroscopy. J.T. Hynes\, D. Laage\,\nG. Stirnemann\, H. de Aguiar\, Y. Zhang \n5:10. The Eisenthal chi(3) method\, in phase and amplitude\nspace. F. Geiger \n5:50. Aqueous ions regulate self assembly of oligomers at\nliquid/liquid interfaces. L. Lin\, Z. Liu\, A.U. Chowdhury\, Y.\nMa\, R.L. Sacci\, J. Katsaras\, K. Hong\, C.P. Collier\, J.Y.\nCarrillo\,B. Doughty \n\nSUNDAY EVENING: Virtual Zoom Room 04 \nH. Bian\, Presiding \n7:00 Networking. \n7:20. Lattice vibrations at charged oxide water interface probed\nby sum-frequency spectroscopy. W. Liu \n8:00. Ion clustering at the air/aqueous solution interface probed\nwith sum frequency generation vibrational spectroscopy.\nH. Bian \n8:40. Light-triggered active air-water interfaces through E/Z\nphotoisomerization reactions of arylazopyrazole surfactants.\nC. Honnigfort\, M. Schnurbus\, D. Glikman\, B. Braunschweig \n8/23 - Monday\n\nMONDAY MORNING \nJ. M. Gibbs\, L. H. Haber\, S. T. Roberts\, Presiding \n8:00 Networking. \n8:40. The mechanism behind the entangled photon and heralding in\ncascade emitters. K. Nasiri Avanaki\, G.C. Schatz \n9:00. The role of femtosecond pulsed lase induced atomic redistribution\nin bimetallic Au-Pd nanorods on optoelectronic and catalytic properties.\nM. Nazemi\, M.A. El-Sayed \n9:20. Electric field-induced second harmonic generation at the air-water\ninterface. K.K. Ray\, A. Saha\, K. Ng\, H.C. Allen \n9:40. Sub-diffraction limit linear absorption spectroscopy by AFM\nphotothermal detection in the time domain.\nM. Bohlmann Kunz\, M.T. Zanni \nBREAK \nE. Borguet\, B. Doughty\, M. Subir\, A. Benderskii\, Presiding \n10:30. Interfaces in shock compression via hypersonic impacts.\nD.D. Dlott \n11:10. The water surface: Hydroxide\, hydronium\, thiocyanate\, and iron\nions resistively reorganize in response to applied electric fields.\nH.C. Allen\, K. Ray\, K. Ng\, A. Saha \n11:50. Local CO behavior on polycrystalline Pt electrode surface using\ncompressive sensing sum frequency generation microscopy (CS-SFGM)\ncombined with electrochemistry. S. Baldelli\, H. Li \n\nMONDAY AFTERNOON \nE. Borguet\, B. Doughty\, M. Subir\,\nA. Benderskii\, Presiding \n2:00. Second harmonic generation investigation of organic\ncontaminants at colloidal and planar interfaces. M. Subir\n2:40. Understanding the mechanisms of solvent extraction\nat liquid/liquid interfaces with sum frequency generation.\nB. Doughty\, A.U. Chowdhury\, Y. Ma\, U.I. Premadasa\,\nL. Lin\n3:20. Thin films\, aqueous-air\, and nanoparticle interfaces.\nM.J. Shultz\, P. Bisson\, J. Marmolejos\, E. Gubbins\,\nR. Davies \nBREAK \n4:30. Surface carrier dynamics of anatase TiO 2 probed by\nultrafast XUV spectroscopy: Understanding the role of O\nvacancy defects. E. Hruska\, L. Baker \n4:50. Second harmonic generation for probing domains in\nliving membranes. M. Blake\, T.R. Calhoun \n\nMONDAY EVENING: Virtual Zoom Room 06 \nW. Zhang\, Presiding \n7:00 Networking. \n7:20. Nucleation\, growth\, and dissociation of methane\nclathrate at the gas/water interface. C. Tian \n8:00. Permeability of lipid bilayers on the surface of\nvesicles of different sizes studied with angle resolved\nsecond harmonic generation. W. Gan\, B. Xu \n8:40. Toward vibrational tomography of citrate on\ndynamically changing individual silver nanoparticles.\nT. Ahuja\, K. Chaudhari\, G. Paramasivam\, G. Ragupathy\,\nJ.S. Mohanty\, T. Pradeep \n8/24 - Tuesday\nTUESDAY MORNING \nA. N. Tarnovsky\, L. A. Velarde\, Y. Rao\, Presiding \n8:00 Networking. \n8:20. The comparison of the sub-200 fs gas- and liquid-phase\nphotochemical dynamics from dispersed continuum-probe ultrafast\ntransient absorption experiments. A.N. Tarnovsky \n9:00. Intermolecular interactions\, partitioning\, and preferential\nsolvation at the mineral-liquid interface. L.A. Velarde\, T.T. Bui\, B. Breeman\, M. Rajapakse \n9:40. Probing the gold/water interface with surface specific\nspectroscopy. S. Piontek\, D. Naujoks\, M. DelloStritto\, M. Jaugstetter\, M. Corva\, S. Ghosh\, A. Ludwig\, D. Marx\, K. Tschulik\, M.L. Klein\,\nP. Petersen \nBREAK \n10:30. In situ nonlinear spectroscopic probe of charge carrier dynamics\nand molecular catalysts at semiconductor photoelectrode liquid\ninterface. T. Lian \n11:10. Designing nanoscale Interfaces for summing & splitting photons.\nD.E. Cotton\, B.R. Pollok\, J. Strain\, E. Raulerson\, T. Huang\, T.T. Koh\,\nJ. Schwan\, T. Tran\, P. Xia\, K. Wang\, L. Mangolini\, M.L. Tang\, M.J. Rose\,\nS.T. Roberts \n11:50. Probing the vibrational density of states at aqueous interfaces.\nE. Borguet \nTUESDAY AFTERNOON \nA. N. Tarnovsky\, L. A. Velarde\, Y. Rao\, Presiding \n2:00. Separating the interfacial structure of water at the silica\nsurface and in the diffuse layer with nonlinear optical\nspectroscopy. J.M. Gibbs\, B. Rehl\, S. Parshotam \n2:40. Structural DNA nanotechnology and rational control of\nself-assembly. Y. Liu \n3:20. The organization of complex anions at aqueous\ninterfaces: Sum frequency generation spectroscopy and\nsynchrotron X-ray scattering studies. R.R. Kumal\, S. Nayak\,\nW. Bu\, A. Uysal \n3:40. Developing electronic sum-frequency generation to\nstudy the interfacial density of states of organic thin films on\nfunctionalized silicon surfaces. D. Cotton\, B.R. Pollok\,\nJ. Strain\, M.J. Rose\, S.T. Roberts \nTUESDAY EVENING: Virtual Zoom Room 02 \nW. Gan\, Presiding \n7:00. Time resolved microscopy: Live cell and crowded systems.\nK. Bhattacharyya \n7:40. Alkoxylation reaction of alcohol molecules on silica surfaces\nand the hydrophobicity of alkoxy/silica surfaces. Z. Ren \n8:20. PSF assisted image restoration of multiphoton fluorescence\nimaging. W. Zhang \n8/25 - Wednesday\n\nWEDNESDAY EVENING: Virtual Zoom Room 17 \nL.H. Haber\, Presiding \n7:00. Isomerization at solid/liquid interfaces: A case for chemistry in\nconfinement.\nR.A. Walker \n7:40. Molecular fingerprints of hydrophobicity at aqueous interfaces from\ntheory and vibrational spectroscopies (SFG and THz-IR).\nM.P. Gaigeot \n8:20. Heterodyne-detected sum frequency generation spectroscopy of\nisotopically-diluted water/vapor interfaces.\nS. Yamaguchi \n8/26 - Thursday\n\nTHURSDAY EVENING: Virtual Zoom Room 02 \nJ. M. Gibbs\, L. H. Haber\, S. T. Roberts\, Presiding \n7:00. Angular dependent second harmonic generation spectroscopy\nstudies of quantum material thin film heterostructures. L.H. Haber\,\nM. Dehghani\, K. Zhao\, J. Taylor \n7:40. New approach for accurate phase determination in heterodyned\nbroadband sum-frequency generation spectroscopy. P.B. Petersen \n8:20. Gypsum dissolution mechanisms and their environmental\nconsequences. G. Yiyen\, R.A. Walker
URL:https://phys-acs.org/event/acs-fall-2021-advances-in-nonlinear-optics-at-interfaces-symposium/
LOCATION:Georgia World Congress Center\, 285 Andrew Young International Blvd NW\, Atlanta\, GA\, 30313\, United States
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=UTC:20210813T150000
DTEND;TZID=UTC:20210813T170000
DTSTAMP:20260415T031153
CREATED:20210501T205335Z
LAST-MODIFIED:20210721T191110Z
UID:4702-1628866800-1628874000@phys-acs.org
SUMMARY:From Molecules to Clusters to Particles in the Atmosphere and in the Flask
DESCRIPTION:Christopher J. Johnson\nAssociate Professor\nDepartment of Chemistry\nStony Brook University \n2021 Recipient of the JPC-A Lectureship \nRegister in advance for Zoom Link:\nhttps://zoom.us/webinar/register/WN_2cl4maXuSxi3oDACM7pLmw\nYouTube live: Click here
URL:https://phys-acs.org/event/from-molecules-to-clusters-to-particles-in-the-atmosphere-and-in-the-flask/
LOCATION:ACS PHYS Webinar – Virtual Seminar Series\, United States
CATEGORIES:Webinar
ORGANIZER;CN="Phasetech":MAILTO:contact@phasetechspectroscopy.com
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=UTC:20210723T150000
DTEND;TZID=UTC:20210723T170000
DTSTAMP:20260415T031153
CREATED:20210515T181940Z
LAST-MODIFIED:20210808T031031Z
UID:4756-1627052400-1627059600@phys-acs.org
SUMMARY:Optimal Design of Spectroscopy Experiments for Probing Protein Dynamics
DESCRIPTION:Diwakar Shukla\nBlue Waters Assistant Professor\nDepartment of Chemical and Biomolecular Engineering\nThe University of Illinois at Urbana-Champaign \n2021 Recipient of the JPC-B Lectureship \nRegister in advance for Zoom Link:\nhttps://zoom.us/webinar/register/WN_yP2bsmvdQgmUGiPWyqgBzA\nYouTube live: Click here
URL:https://phys-acs.org/event/optimal-design-of-spectroscopy-experiments-for-probing-protein-dynamics/
LOCATION:ACS PHYS Webinar – Virtual Seminar Series\, United States
CATEGORIES:Webinar
ORGANIZER;CN="Phasetech":MAILTO:contact@phasetechspectroscopy.com
END:VEVENT
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