# | Poster | Title |
---|---|---|

1 | Michael Kilgour | Coherence and Decoherence in Quantum Absorption Refrigerators |

2 | Anthony Dutoi | Excitonically Renormalized Coupled-cluster (XR-CC) for Large-scale, High-level Electronic Structure Calculations: Application to Water Clusters |

3 | Jiahao Zhang | TBD |

4 | Kritanjan Polley | Two-dimensional spectra from classical trajectories |

5 | Tao Li | Semiclassical Electrodynamics: What is the reliable Hamilton? |

6 | Pratip Chakraborty | Insights into S2 population trapping of uracil using trajectory surface hopping dynamics |

7 | Alexei Kananenka | Quantum Effects in OH-stretch Vibrational Spectroscopy of Condensed-phase Water |

8 | Ellen Mulvihill | A Modified Generalized Quantum Master Equation for Simulating Electronically Nonadiabatic Dynamics |

9 | Addison Schile | Simulating conical intersection dynamics in the condensed phase with hybrid quantum master equations |

10 | Kylie Pearce | Effects of the Crystal Packing of Homo-Halogenated Benzenes on Their Electronic Properties |

11 | Jeremy Scher | Obtaining temperature-dependent statistical distributions of one million electronic excitation energies using the Effective Stochastic Potential method |

12 | Peter McLaughlin | Capturing Electron-Hole Correlation and Calculating Electronic Excitation Energies Efficiently Using Real-Space Geminal Screened Electron-Hole Interaction Kernel |

13 | Alexander Semenov | Scattering Approach to Quantum Thermodynamics and Transport |

14 | Boris Daniel Gutierrez Cortes | Translationally transformed coupled-cluster theory in a local basis for periodic systems |

15 | Mohammad R. Momeni | Accurate modeling of structural, dynamical and linear/non-linear spectroscopic properties of water in confined nanopores of metal organic frameworks |

16 | Farnaz Shakib | Charge transfer/transport in 2D layered materials |

17 | Ardavan Farahvash | Using machine learning to accelerate simulations of Frenkel exciton transport in organic semiconductors |

18 | Maria Alejandra Castellanos Morales | Theoretical model of dye-based qubit systems for the development of novel quantum computing platforms |

19 | John Philbin | Auger Recombination in Semiconductor Nanostructures |

20 | Leopoldo Mejía | Proceed with caution: computing electron transport across thermally fluctuating molecular junctions. |

21 | Nicole Spanedda | Efficient Construction of Four-point Green’s Functions in Real-Space Representation using Shuffle Monte Carlo method |

22 | Ming Chen | Reducing Noise in Stochastic Density Functional Theory |

23 | Rob Chapleski | Understanding the complex adsorption equilibria of small alkanols on SrTiO3(001) using density functional theory |

24 | Sharani Roy | Adsorption of Atomic Oxygen at the Surface and Subsurface of (111), (110), and (100) Facets of Silver |

25 | Inbal Oz | Numerical approach to non-equilibrium quantum thermodynamics: A non-perturbative treatment of the driven resonant level based on the driven Liouville von Neumann formalism |

26 | Feng Chen | Auxiliary master equation for nonequilibrium dual fermion approach |

27 | Michael Zwolak | Breaking the entanglement barrier: Tensor network simulation of quantum transport |

28 | Chuwei Zhong | Davydov Splitting in Squaraine Dimers |

29 | Xingyu Liu | Phenylated Acene Derivatives as Candidates for Intermolecular Singlet Fission |

30 | Hava Friedman | A cooling condition for quantum absorption refrigerators |

31 | Hung-Hsuan Teh | The Simplest Possible Approach for Simulating S0-S1 Conical Intersections with DFT/TDDFT --- Adding One Doubly Excited Configuration |

32 | Zeyu Zhou | Nonadiabatic dynamics in a laser field with Floquet Fewest Switch Surface Hopping (F-FSSH) |

33 | Alec Coffman | Modeling Electron Transfer in Diffusive Multidimensional Electrochemical Systems |

34 | Justin Elenewski | Topology, Landscapes, and Biomolecular Energy Transport |

35 | Hsing-Ta (Theta) Chen | An Intuitive Model for Photoexcitation and Spectroscopy: Lessons from Molecular Dynamics |

36 | Tian Qiu | TBD |

37 | Yuezhi Mao | Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals |

38 | Zuxin Jin | A practical ansatz for evaluating the electronic friction tensor |

39 | Mushir ul Hasan K T | Benchmarking the efficacies of various methods for computing metastable negative-ions in low symmetry medium-sized systems. |

40 | Andres Montoya-Castillo | When do bosonic maps capture fermionic structure and dynamics? |

41 | Galen Craven | Electron transfer in thermally heterogeneous environments |

42 | Shuyang Yang | Topological Properties of SnSe/EuS interface |

43 | Prateek Goel | The Adventures of Siegert Eigenvalues |

44 | Andrew Sifain | The Nonadiabatic EXcited-state Molecular Dynamics (NEXMD) Software: Development and Applications |

45 | Bhaskar Rana | QM/MM-Ewald method using charges derived from electrostatic potential and its application to ab initio molecular dynamics simulation of hydrated electron |

46 | Mohammadhasan (Hadi) Dinpajooh | Conformational Landscape of Aqueous DNA Dinucleotide: Circular Dichroism and Markov State Model Analysis |

47 | Mohammadhasan (Hadi) Dinpajooh | From Continuum to Microscopic Free Energy Functionals: Pekar Factor Revisited |

48 | Kevin Carter-Fenk | Accurate and Efficient Symmetry-Adapted Perturbation Theory with Many-Body Dispersion |

49 | Maicol Ochoa | Inhomogeneous current distributions in molecular electronic junctions |

50 | Gaohan Miao | Comparing Independent electron surface hopping (IESH) against broadened classical master equation (BCME) in the Marcus limit |

51 | Zhenbang Dai | Dynamical Raman Calculation Revealing the Origin of Anharmonicity |

52 | Tan Peng | DFT Calculation of Elastic Properties of 2D Hybrid Organic-Inorganic Perovskites |

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