Aaron Forde | Poster | Electronic Coherence and Excited-State Dynamics of Photo-Induced Polarons in Lead Halide Perovskites | forde_abstract.pdf | aaron.forde@ndsu.edu | aaron.forde@ndsu.edu |
Svetlana Kilina | Poster | Influence of Chemical Composition on the Relaxation Rates of Charge Carriers in PbX/CdX, X = S or Se, Core/Shell Quantum Dots | kilina_abstract.pdf | svetlana.kilina@ndsu.edu | svetlana.kilina@ndsu.edu |
Fabian Faulstich | Oral | Cost reduction of quantum simulations of chemistry by means of the Discontinuous Galerkin discretization | Abstract.pdf | f.m.faulstich@kjemi.uio.no | f.m.faulstich@kjemi.uio.no |
Benoît Champagne | Poster | DYNAMICAL BEHAVIOR AND SECOND HARMONIC GENERATION RESPONSES OF MOLECULAR SWITCHES | Sanibel_abstract_Champagne.pdf | benoit.champagne@unamur.be | benoit.champagne@unamur.be |
Andre Laestadius | Oral | Guaranteed convergence of a regularized Kohn-Sham iteration in finite dimensions | Oral-presentation-abstract-Laestadius.pdf | andre.laestadius@kjemi.uio.no | andre.laestadius@kjemi.uio.no |
Peter Langhoff | Oral | On the Birth and Attributes of Quantum Computing | langhoff_abstract.pdf | plangho1@san.rr.com | plangho1@san.rr.com |
Gilberto Alexander Zapata Romero | Poster | Lipase-catalyzed acylation of (R,S)-propranolol: effect of the acyl group on the chemoselectivity | zapataromero_abstract.pdf | gilbertoazr@gmail.com | gilbertoazr@gmail.com |
Peter Knowles | Invited | Coupled Cluster Theory and Full Configuration Interaction for electrons, photons and vibrations | knowles_abstract.pdf | KnowlesPJ@Cardiff.ac.uk | KnowlesPJ@Cardiff.ac.uk |
Paul Bracken | Poster | Thermodynamics in Quantum Systems | bracken_abstract.pdf | paul.bracken@utrgv.edu | paul.bracken@utrgv.edu |
Svetlana Kotochigova | Oral | Quantum chemistry with ultracold molecules | Abstract_Kotochigova.pdf | skotoch@temple.edu | skotoch@temple.edu |
Akbar Salam | Plenary | RET in a Medium: Pair and Many-Body QED Theory | salam_abstract.pdf | salama@wfu.edu | salama@wfu.edu |
Eite Tiesinga | Poster | A pressure standard for Ultra-High-Vacuum based on laser-cooled atoms | tiesinga_abstract.pdf | eite.tiesinga@nist.gov | eite.tiesinga@nist.gov |
Thanh Lam Nguyen | Oral | Removal of Laughing Gas N2O by Singlet CH2: A Theoretical Study | Abstract_Sanibel-2020-Nguyen-Ravi-Stanton.pdf | tlam.nguyen@chem.ufl.edu | tlam.nguyen@chem.ufl.edu |
Oleg Prezhdo | Invited | Excited State Dynamics in Hybrid Nanoscale Materials: Time-Domain Ab Initio Studies | Abstact_Prezhdo.pdf | prezhdo@usc.edu | prezhdo@usc.edu |
Ari Chakraborty | Poster | Machine Learning of Quantum Mechanical Operators using Deep Neural Networks: Achieving linear-scaling calculation of electron ionization by learning from low-dimensional tensors | chakraborty_ari_abstract.pdf | archakra@syr.edu | archakra@syr.edu |
Robert Molt | Oral | Correlation, Anharmonic Treatments, and Basis Effects in comparing Computational IR Spectroscopy to Experimental Databases | molt_abstract.pdf | r.molt.chemical.physics@gmail.com | r.molt.chemical.physics@gmail.com |
Piotr Rozyczko | Oral | Impact sensitivity of energetic materials - theory and experiment | rozyczko_abstract.pdf | piotr.rozyczko@esss.se | piotr.rozyczko@esss.se |
Remy Lalisse | Poster | pH-Controlled Chiral Packing and Self-Assembly of a Coumarin Tetrapeptide | lalisse_abstract.pdf | lalisse.1@osu.edu | lalisse.1@osu.edu |
Biswas Rijal | Poster | FIRST PRINCIPLE STUDIES OF CHARGED POINT DEFECTS IN 2D MATERIALS | Biswas_abstract.pdf | biswas.rijal@ufl.edu | biswas.rijal@ufl.edu |
Luis Rincón | Poster | Semi-local deep-learning kinetic energy density functional based on fourth order gradient expansion | rincon_abstract.pdf | lrincon@usfq.edu.ec | lrincon@usfq.edu.ec |
Marc de Wergifosse | Poster | Electronic Excitation Spectra of Very Large Diradicals: A Simplified Spin-Flip Time-Dependent Density Functional Theory Approach | Sanibel_2020_Abstract1.pdf | mdewergifosse@thch.uni-bonn.de | mdewergifosse@thch.uni-bonn.de |
Bidhan Saha | Oral | Relativistic study on electron and positron scattering by neutral Fe atom at E=1-106 eV*) | saha_abstract.pdf | bidhan.saha@famu.edu | bidhan.saha@famu.edu |
John Mintmire | Poster | First-principles structural studies of polythiophene isomers | mintmire_abstract.pdf | john.mintmire@okstate.edu | john.mintmire@okstate.edu |
David Micha | Poster | Time-propagation of the reduced density matrix for fast and transient phenomena | micha_abstract.pdf | micha@qtp.ufl.edu | micha@qtp.ufl.edu |
Notker Roesch | Invited | Catalysis in Silico - Where are We? Modeling Reactions at Transition Metal Complexes | Roesch_abstract.pdf | roesch@mytum.de | roesch@mytum.de |