| Zhuo Ye | Poster | GROUND STATE PROPERTIES OF ONE-DIMENSIONAL AND TWO-DIMENSIONAL HUBBARD MODEL FROM GUTZWILLER CONJUGATE GRADIENT MINIMIZATION THEORY | ye_abstract.pdf (opens in new tab) | zye@iastate.edu | zye@iastate.edu |
| So Hirata | Plenary | Finite-Temperature Many-Body Perturbation Theory for Electrons | hirata_abstract.pdf (opens in new tab) | sohirata@illinois.edu | sohirata@illinois.edu |
| Minh-Quyet HA | Poster | The application of theory of evidence in prediction of high-entropy alloys | ha_abstract.pdf (opens in new tab) | minhquyet@jaist.ac.jp | minhquyet@jaist.ac.jp |
| Nicholas Bauman | Oral | Downfolding of many-body Hamiltonians using active-space models | Bauman_abstract.pdf (opens in new tab) | nicholas.bauman@pnnl.gov | nicholas.bauman@pnnl.gov |
| Roberto Cammi | Oral | Quantum Chemistry at the high pressures: the eXtreme Pressure Polarizable Continuum Model (XP-PCM). | cammi_abstract.pdf (opens in new tab) | roberto.cammi@unipr.it | roberto.cammi@unipr.it |
| Dinh-Khiet Le | Poster | Understanding Materials Structure by Using Machine Learning | le_poster.pdf (opens in new tab) | ledinhkhiet1804@gmail.com | ledinhkhiet1804@gmail.com |
| Jerry Whitten | Oral | Prediction of many-electron wavefunctions using atomic potentials | whitten_abstract.pdf (opens in new tab) | whitten@ncsu.edu | whitten@ncsu.edu |
| Daniel Chaves Claudino | Oral | Compact and optimal representation of embedded wave functions via concentric localization | Claudino_abstract.pdf (opens in new tab) | dclaudino@vt.edu | dclaudino@vt.edu |
| Dipayan Datta | Poster | Parallel implementation of coupled-cluster methods based on the resolution-of-identity approximation for two-electron repulsion integrals | datta_abstract1.pdf (opens in new tab) | ddatta@iastate.edu | ddatta@iastate.edu |
| Achintya Kumar Dutta | Poster | The Electron Attachment Induced Radiation Damage to Genetic Materials: The Role of Water | dutta_abstract.pdf (opens in new tab) | achintya@chem.iitb.ac.in | achintya@chem.iitb.ac.in |
| Nguyen Duong Nguyen | Poster | Machine learning extracts structure-stability relationship of substituted Fe-Nd-X structures | duong_nguyen_abstract.pdf (opens in new tab) | nguyennd@jaist.ac.jp | nguyennd@jaist.ac.jp |
| Anne Marie Tan | Poster | First-principles investigation of charged dopants, defects, and defect complexes in 2D transition metal dichalcogenides | tan_abstract.pdf (opens in new tab) | annemarietan@ufl.edu | annemarietan@ufl.edu |
| Debajit Chakraborty | Oral | vdW-DF3: a more accurate van-der Waals density functional | chakraborty_debajit_abstract.pdf (opens in new tab) | debajitc@gmail.com | debajitc@gmail.com |
| Victor Batista | Oral | Tensor train algorithms for quantum dynamics simulations | Sanibel-Abstract_Batista_S.pdf (opens in new tab) | victor.batista@yale.edu | victor.batista@yale.edu |
| Marcel Nooijen | Plenary | Direct calculation of thermal and time-dependent properties from a normal-ordered exponential ansatz. A unified perspective: Electronic, Vibrational, Vibronic, Magnetic. | nooijen_abstract.pdf (opens in new tab) | nooijen@uwaterloo.ca | nooijen@uwaterloo.ca |
| Benjamin Levine | Plenary | Toward Ab Initio Molecular Dynamics on Many Electronic States | levine_abstract.pdf (opens in new tab) | levine@chemistry.msu.edu | levine@chemistry.msu.edu |
| Wenjian Liu | Plenary | ~90 Years of Relativistic Molecular Quantum Mechanics | 90-years-of-RMQM.pdf (opens in new tab) | liuwj@sdu.edu.cn | liuwj@sdu.edu.cn |
| Haardik Pandey | Poster | Sorption-based separation of acetylene, ethylene and ethane in a porous metal organic framework | Haardik_Pandey.pdf (opens in new tab) | pandh17@wfu.edu | pandh17@wfu.edu |
| José L. Gázquez | Poster | Derivative discontinuity and Kohn-Sham frontier orbital energies in the generalized gradient approximation: The case of negative electron affinities | AbsSanibel2020-JLGazquez.pdf (opens in new tab) | jlgm@xanum.uam.mx | jlgm@xanum.uam.mx |
| Federico Zahariev | Oral | Combined Quantum Monte Carlo-Effective Fragment Molecular Orbital Method | Sanibel_2020_FZ_MSG.pdf (opens in new tab) | fzahari@iastate.edu | fzahari@iastate.edu |
| Henrik R. Larsson | Poster | Combining the Density Matrix Renormalization Group with Selected Configuration Interaction | henrik_larsson.pdf (opens in new tab) | larsson@caltech.edu | larsson@caltech.edu |
| Valentin Karasiev | Poster | Characterization of the liquid–liquid phase transition in dense hydrogen: The role of accurate exchange-correlation and nuclear quantum effects | Characterization_WP-2.pdf (opens in new tab) | vkarasev@lle.rochester.edu | vkarasev@lle.rochester.edu |
| Roland Lindh | Oral | Restricted-Variance Rational-Function Molecular Geometry Optimization Based on Gradient-Enhanced Kriging | GEK.pdf (opens in new tab) | roland.lindh@kemi.uu.se | roland.lindh@kemi.uu.se |
| Niklas Thoben | Poster | Theoretical investigations on the photodesorption of CO on Si(100) | Abstract.pdf (opens in new tab) | niklas.thoben@uni-oldenburg.de | niklas.thoben@uni-oldenburg.de |
| Roland Lindh | Oral | Extended dynamically weighted CASPT2: the best of two worlds | Lindh.pdf (opens in new tab) | roland.lindh@kemi.uu.se | roland.lindh@kemi.uu.se |