Stefan Grimme | Plenary | Automated Exploration of the low-energy Chemical Space with fast Quantum Chemical Methods | grimme_abstract.pdf | grimme@thch.uni-bonn.de | grimme@thch.uni-bonn.de |
Trond Saue | Plenary | Light-matter interaction in a relativistic perspective | saue_Sanibel_60abs.pdf | trond.saue@irsamc.ups-tlse.fr | trond.saue@irsamc.ups-tlse.fr |
Harper Grimsley | Poster | Coupled Pair Methods as Geometric Approximations to Coupled Cluster Methods | Grimsley.pdf | hrgrimsl@vt.edu | hrgrimsl@vt.edu |
Chun-Hung Wang | Poster | Computational Kinetics of Reactions C2H6 ⇌ CH3 + CH3 and H + O2 ⇌ HO2 ⇌ HO + O in Supercritical CO2 | 2020-Sanibel-Symposium-Chun-Hung-Wang.pdf | chun-hung.wang@ucf.edu | chun-hung.wang@ucf.edu |
Shubin Liu | Poster | Understanding Aromaticity and Antiaromaticity with Information-Theoretic Approach in Density Functional Theory | liu_abstract.pdf | shubin@email.unc.edu | shubin@email.unc.edu |
Vibin Abraham | Poster | Tensor Product Selected CI for Strongly Correlated Systems | Abraham.pdf | vibin1@vt.edu | vibin1@vt.edu |
Maitrayee Ghosh | Poster | Nanodiamond formation in hydrocarbons under extreme pressure-temperature conditions - Evidence from first principles | ghosh_abstract.pdf | mghosh2@ur.rochester.edu | mghosh2@ur.rochester.edu |
Mark Iron | Plenary | Density Functional Theory and Transition Metals Reactions – Part II: Open-Shell First-Row Transition Metal Complexes | 60th-Sanibel-conference-abstract.pdf | mark.a.iron@weizmann.ac.il | mark.a.iron@weizmann.ac.il |
Toshiyuki Hirano | Poster | Study of interaction energy analysis of proteins by canonical Kohn-Sham molecular orbital calculation | SanibelSymposiumAbstract_TH20191220v2.pdf | t-hirano@iis.u-tokyo.ac.jp | t-hirano@iis.u-tokyo.ac.jp |
Steven Valone | Poster | Mixed Density Functional–Wave Functional Constructs: Variational Functionals with Hubbard-U | valone_abstract.pdf | smvalone@gmail.com | smvalone@gmail.com |
Gustavo Scuseria | Plenary | AGP decades later: Why revisiting this ansatz? | Sanibel_Feb2020.pdf | guscus@rice.edu | guscus@rice.edu |
Devin Matthews | Oral | THC-MP3: Practical Crossover and Investigation of Amplitude Fitting Errors | sanibel20201.pdf | damatthews@smu.edu | damatthews@smu.edu |
Ivan Cernusak | Oral | Interlocked cyclo[n]carbon rings | IC_oral_Sanibel2020_abstr.pdf | cernusak1@uniba.sk | cernusak1@uniba.sk |
Vincent Ortiz | Oral | Dyson Orbitals: Fundamental Units of Electronic Structure and Chemical Interpretation | Ortiz_abstract.pdf | ortiz@auburn.edu | ortiz@auburn.edu |
Jerrano Bowleg | Poster | The Binding Modes of Diminazene Aceturate with c-MYC G-quadruplexes | Jerrano_Bowleg_Abstract.pdf | jlb1692@msstate.edu | jlb1692@msstate.edu |
Markus Doerr | Poster | Effect of the ceramide composition on the structure of a stratum corneum model system - a molecular dynamics study | Sanibel-Abstract_Markus_Doerr_1.pdf | mhodoerr@uis.edu.co | mhodoerr@uis.edu.co |
Markus Doerr | Poster | Enantioselectivity of the O-acylation of (RS)-atenolol catalyzed by Candida antarctica lipase B: effect of the length of the acyl donor | Sanibel-Abstract_Markus_Doerr_2.pdf | mhodoerr@uis.edu.co | mhodoerr@uis.edu.co |
Hirotaka Kitoh-Nishioka | Poster | Excitonic Coupling Calculations of Homodimetric Type-I Photosynthetic Reaction Center of Heliobacterium modesticaldum | AbstKitoh_sanibel.pdf | hkito@ccs.tsukuba.ac.jp | hkito@ccs.tsukuba.ac.jp |
Masahiro Higashi | Poster | Theoretical study on excitation energy transfer in the light-harvesting complex | Sanibel_Abstract_Higashi.pdf | higashi@moleng.kyoto-u.ac.jp | higashi@moleng.kyoto-u.ac.jp |
Kohei Tada | Poster | Effects of interactions with surfaces on spin contamination errors and effective exchange integrals of homogeneous spin dimers, chains, and films: Model calculations of Au/MgO and Au/BaO systems | Abstract_Sanibel_60th_ktada_v2.pdf | k-tada@aist.go.jp | k-tada@aist.go.jp |
Jorge A. Morales | Invited | ELECTRON NUCLEAR DYNAMICS INVESTIGATION OF WATER RADIOLYSIS AND DNA DAMAGE IN PROTON CANCER THERAPY | Sanibel-Abstract-Jorge-Morales-1.pdf | jorge.morales@ttu.edu | jorge.morales@ttu.edu |
Charles Patterson | Oral | Density fitting approach to many-body calculations in molecules and solids | Abstract_Patterson.pdf | Charles.Patterson@tcd.ie | Charles.Patterson@tcd.ie |
Lisa Fredin | Poster | Predicting Plasmonic Reactions on Faceted Metal Nanoparticles | LAF_abstract.pdf | laf218@lehigh.edu | laf218@lehigh.edu |
Peter Pulay | Invited | Selection of active orbitals for strong electron correlation | Sanibel-2020-abstract-Pulay1.pdf | pulay@uark.edu | pulay@uark.edu |
Rodrigo Araujo Mendes | Poster | Assessment of QTP density functionals on process of proton transfer and hydrogen bond formation. | | rodrigoaramendes@usp.br | rodrigoaramendes@usp.br |