List of Posters and Presenters

# Poster Title
1Michael KilgourCoherence and Decoherence in Quantum Absorption Refrigerators
2Anthony DutoiExcitonically Renormalized Coupled-cluster (XR-CC) for Large-scale, High-level Electronic Structure Calculations: Application to Water Clusters
3Jiahao ZhangTBD
4Kritanjan PolleyTwo-dimensional spectra from classical trajectories
5Tao LiSemiclassical Electrodynamics: What is the reliable Hamilton?
6Pratip ChakrabortyInsights into S2 population trapping of uracil using trajectory surface hopping dynamics
7Alexei KananenkaQuantum Effects in OH-stretch Vibrational Spectroscopy of Condensed-phase Water
8Ellen MulvihillA Modified Generalized Quantum Master Equation for Simulating Electronically Nonadiabatic Dynamics
9Addison SchileSimulating conical intersection dynamics in the condensed phase with hybrid quantum master equations
10Kylie PearceEffects of the Crystal Packing of Homo-Halogenated Benzenes on Their Electronic Properties
11Jeremy ScherObtaining temperature-dependent statistical distributions of one million electronic excitation energies using the Effective Stochastic Potential method
12Peter McLaughlinCapturing Electron-Hole Correlation and Calculating Electronic Excitation Energies Efficiently Using Real-Space Geminal Screened Electron-Hole Interaction Kernel
13Alexander SemenovScattering Approach to Quantum Thermodynamics and Transport
14Boris Daniel Gutierrez CortesTranslationally transformed coupled-cluster theory in a local basis for periodic systems
15Mohammad R. MomeniAccurate modeling of structural, dynamical and linear/non-linear spectroscopic properties of water in confined nanopores of metal organic frameworks
16Farnaz ShakibCharge transfer/transport in 2D layered materials
17Ardavan FarahvashUsing machine learning to accelerate simulations of Frenkel exciton transport in organic semiconductors
18Maria Alejandra Castellanos MoralesTheoretical model of dye-based qubit systems for the development of novel quantum computing platforms
19John PhilbinAuger Recombination in Semiconductor Nanostructures
20Leopoldo MejíaProceed with caution: computing electron transport across thermally fluctuating molecular junctions.
21Nicole SpaneddaEfficient Construction of Four-point Green’s Functions in Real-Space Representation using Shuffle Monte Carlo method
22Ming ChenReducing Noise in Stochastic Density Functional Theory
23Rob ChapleskiUnderstanding the complex adsorption equilibria of small alkanols on SrTiO3(001) using density functional theory
24Sharani RoyAdsorption of Atomic Oxygen at the Surface and Subsurface of (111), (110), and (100) Facets of Silver
25Inbal OzNumerical approach to non-equilibrium quantum thermodynamics: A non-perturbative treatment of the driven resonant level based on the driven Liouville von Neumann formalism
26Feng ChenAuxiliary master equation for nonequilibrium dual fermion approach
27Michael ZwolakBreaking the entanglement barrier: Tensor network simulation of quantum transport
28Chuwei ZhongDavydov Splitting in Squaraine Dimers
29Xingyu LiuPhenylated Acene Derivatives as Candidates for Intermolecular Singlet Fission
30Hava FriedmanA cooling condition for quantum absorption refrigerators
31Hung-Hsuan TehThe Simplest Possible Approach for Simulating S0-S1 Conical Intersections with DFT/TDDFT --- Adding One Doubly Excited Configuration
32Zeyu ZhouNonadiabatic dynamics in a laser field with Floquet Fewest Switch Surface Hopping (F-FSSH)
33Alec CoffmanModeling Electron Transfer in Diffusive Multidimensional Electrochemical Systems
34Justin ElenewskiTopology, Landscapes, and Biomolecular Energy Transport
35Hsing-Ta (Theta) ChenAn Intuitive Model for Photoexcitation and Spectroscopy: Lessons from Molecular Dynamics
36Tian QiuTBD
37Yuezhi MaoAccurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals
38Zuxin JinA practical ansatz for evaluating the electronic friction tensor
39Mushir ul Hasan K TBenchmarking the efficacies of various methods for computing metastable negative-ions in low symmetry medium-sized systems.
40Andres Montoya-CastilloWhen do bosonic maps capture fermionic structure and dynamics?
41Galen CravenElectron transfer in thermally heterogeneous environments
42Shuyang YangTopological Properties of SnSe/EuS interface
43Prateek Goel The Adventures of Siegert Eigenvalues
44Andrew SifainThe Nonadiabatic EXcited-state Molecular Dynamics (NEXMD) Software: Development and Applications
45Bhaskar RanaQM/MM-Ewald method using charges derived from electrostatic potential and its application to ab initio molecular dynamics simulation of hydrated electron
46Mohammadhasan (Hadi) DinpajoohConformational Landscape of Aqueous DNA Dinucleotide: Circular Dichroism and Markov State Model Analysis
47Mohammadhasan (Hadi) DinpajoohFrom Continuum to Microscopic Free Energy Functionals: Pekar Factor Revisited
48Kevin Carter-FenkAccurate and Efficient Symmetry-Adapted Perturbation Theory with Many-Body Dispersion
49Maicol OchoaInhomogeneous current distributions in molecular electronic junctions
50Gaohan MiaoComparing Independent electron surface hopping (IESH) against broadened classical master equation (BCME) in the Marcus limit
51Zhenbang DaiDynamical Raman Calculation Revealing the Origin of Anharmonicity
52Tan PengDFT Calculation of Elastic Properties of 2D Hybrid Organic-Inorganic Perovskites