**The Dynamics Seminar**

**Fall 2019**

Dec 17 – Xinyang

Dec 10 – Marwa

Dec 3 – Duncan

Nov 26 – Surtirtha

Nov 19 – Prakhar

Nov 12 – Leopoldo

Nov 5 – Wen

Oct 29 – Anees / Xinxian

Oct 22 – Antonio

Oct 15 – Vijay / Vishal

Oct 1 – Arkejit

Sep 24 – Chang Woo: Modelling Quantum Dynamics in a Realistic Photosynthetic System

Sep 10 – Wanghuai

**Spring 2019**

May 28 – Antonio

May 21 – Leopoldo

May 14 – Sutirthta

May 7 – Xinyang

Apr 23 – Wen

Apr 16 – Prakar

Mar 26 – Yuly

Mar 12 – Arkajit

Feb 19 – Wang

**Fall 2018**

Nov 27 – Leopoldo Mejía

Nov 20 – Arkajit Mandal

Nov 13 – Wenxiang Hu

Nov 6 – Frank Huo

Oct 30 – Sutirtha Chowdhury

Oct 23 – Xinyang Li

Oct 16 – Bing Gu

Oct 9 – Ignacio Franco

Oct 2 – Available

Sep 25 – Geemi Wellawatte

Sep 18 – Prakhar Swarup

Sep 11 – Wang Huai

**Spring 2018**

May 29 – Leopoldo: Research presentation

May 22- Arkajit: Research presentation

May 15 – Sebastian: Research presentation

Apr 17 – Sutirtha: Research presentation

Apr 10 – Zhi: Research presentation

Mar 20 – Sergiy Bubin: High Accuracy Calculations on Atoms and Molecules with Explicitly Correlated Gaussians

Mar 13 – Wenxiang: Research presentation

Feb 27 – Bing: Research presentation

Feb 20 – Antonio: Research presentation

Feb 13 – Xinyang: Research presentation

Jan 23 -Zak Piontkowski : Resonance Raman theory, implementation, and application

**Fall 2017**

Dec 12 – Sharma: Research presentation

Nov 28 – Zhi: Research presentation

Nov 14 – Bing: Research presentation

Nov 7 – Farnaz: Research presentation

Oct 31 – Wenxiang: Research presentation

Oct 24 – Sebastian: Research presentation

Oct 17 – Sutirtha: Research presentation

Oct 10 – Bing: Research presentation

Oct 3 – Leopoldo: Research presentation

Sep 19 – Arkajit: Research presentation

Sep 12 – Maitrayee: Theoretical Study of Electronic Transitions Using Semiclassical Dynamics, and Pseudo Jahn-Teller Effects in Two-Dimensional Silicene, Germanene and Stanene: A Crystal Orbital Vibronic Coupling Density Analysis

**Spring 2017**

May 2 – Zhi: Research presentation

Apr 25 – Antonio: Research presentation

Apr 18 – Sutirtha: Research presentation

Apr 11 – Xinyang: Research presentation

Mar 28 – Frank: Research presentation

Mar 7 – Farnaz: Research presentation

Feb 28 – Sharma: Research presentation

Feb 21 – Wenxiang: Research presentation

Feb 14 – Ignacio: Entanglement in the Born-Oppenheimer Approximation

Jan 31 – Bing: Research presentation

**Fall 2016**

Nov 29 -Paul Wrona : Research presentation

Nov 15 – Antonio : Research presentation

Nov 8 – Zhi : Research presentation

Oct 25 – Sharma : Research presentation

Oct 18 – Farnaz : Research presentation

Oct 11 – Wenxiang : Research presentation

Oct 4 – Sutirtha: Research presentation

Sep 20 – Xinyang: Research presentation

Sep 13 – Juan Sebastián : Quasicassical and Semiclassical Approach of Rotational Excitation by Non-Reactive Atomo-Diatom Collision: Application to X+HX Collision

Sep 6 – Leopoldo: Research presentation

**Summer 2016**

Aug 30 – Bing: Estimation of the quantum effects of nuclei in large molecular systems

Aug 16 – Arkajit: Exploring total optical absorption coefficient of impurity doped quantum dots in the presence of noise

Jul 26 – Maria Alejandra: Research presentation

Jul 19 – Reshmi: Research presentation

Jun 28 – Antonio: Research presentation

Jun 7 – Rachel: Research presentation

**Spring 2016**

May 24 – Zhi: Research presentation

May 17 – Sutirtha: Research presentation

May 3 – Arnab: Research presentation

Apr 12 – Farnaz: Proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach

Apr 5 – Xinyang: Ab-initio path integral method to simulate nuclear tunneling effects of proton transfer

Mar 29 – Wenxiang: The application of inverse jordan wigner transformation in the many body system study

Feb 23 – Frank: Quantum embedding method for modeling complex systems

Feb 9 – Sharma: Computational investigations of a few low–dimensional systems: Effects of size, defects and molecular adsorption

Feb 2 – Linjun: Stories behind Liouville space surface hopping

Jan 26 – Liping: Charge transport through DNA

**Fall 2015**

Dec 8 – Lewis: Conceptual problems in photophysics of conjugated polymers

Dec 1 – Sutirtha: Correlating fluctuations with mechanism in single-nanoparticle catalysis

Nov 24 – Lijie: Mass transfer through hollow metallic microneedles

Nov 17 – Pengfei: Electronic coherence and kinetics of energy transfer in light-harvesting systems

Oct 27 – Ignacio: Stark control of electrons

Oct 20 – Linjun: Charge and exciton relaxation in graphene

Oct 13 – Zhi: Research presentation

Sep 29 – Arnab: Shortcuts to adiabaticity

Sep 22 – Rachel: Noise-induced quantum coherence drives photo-carrier generation dynamics at polymeric semiconductor heterojunctions

Sep 15 – Antonio: Control of bond selective dissociation of the collinear XHX(X=Cl,Br) unstable molecular complex

**Summer 2015**

Aug 18 – Asaminew: RNA molecular mechanics

Aug 11 – Leopoldo: Research presentation

July 28 – Ulises: Research presentation

July 14 – Zhi: Research presentation

July 7 – Pengfei: Linearized Path-Integral approach to simulate exciton coupled charge separation dynamics

June 30 – Arnab: Single band tight binding dynamics

June 23 – Linjun: Link between Bohmian mechanics and surface hopping

June 16 – Liping: Research presentation

June 9 – Rachel: Research presentation

**Spring 2015**

May 12 – Ignacio: Electronic decoherence in Molecules

Apr. 28 – Rachel: Research presentation

Apr. 21 – Zhi: Research presentation

Apr. 14 – Lena: Introduction to Monte Carlo simulations

Apr. 7 – Arnab: Measures of electronic correlation in many-body systems

Mar. 31 – Linjun: Surface Hoping

Mar. 24 – Liping: Hierarchical equations of motion (HEOM) for open quantum system

Mar. 17 – Lena: Quantum and Classical Molecular Dynamics of Energy Harvesting

Feb. 24 – Ignacio:

- Simple and accurate method for time-dependent transport along nanoscale junctions (APS March Meeting)
- Quantifying fermionic decoherence in many-particle systems (APS March Meeting)
- The Jarzynski Equality

Feb. 17 – Linjun: Feedback in Ehrenfest

Feb. 10 – Arnab: Research presentation

Feb. 3 – Rachel: Research presentation

Jan. 27 – Rachel: Derivation of Landauer formula

Jan. 20 – Zhi: Basic Steps on Using LAMMPS

**Fall 2014**

Dec. 9 – Liping: Discussions on the theory and the code for Lodestar

Dec. 1 – Linjun: Liouville space surface hopping

Nov. 25 – Ignacio: The Wigner formulation of Quantum Mechanics II

Nov. 18 – Ignacio: The Wigner formulation of Quantum Mechanics I

Nov. 11 – Rachel: Landauer transport vs. time-dependent NEGF

Nov. 4 – Linjun: Derivation of Tully’s surface hopping scheme

Oct. 28- Arnab: Derivation of the Gell-Mann and Low Theorem

Oct. 21- Jin: Decoherence corrections in phonon-induced quantum transitions

Oct. 7- Lena: Force fields in molecular simulations

Sep. 30- Rachel: Introduction to quantum relaxation processes

Sep. 23- Zhi: Force fields for molecule-surface interactions

Sep. 16 – Arnab: Contour Integration II

Sep. 9 – Arnab: Contour Integration I

**Summer 2014**

July 22- César Ibargüen

July 15- Theory of the dynamics Stark effect

July 8 – Liping: Maximally localized Wannier functions

July 1- Rachel: Landauer transport

June 23- Zhi: van der Waals interactions