The Dynamics Seminar

Fall 2017

Dec 12 – Sharma

Dec 5 – Xinyang

Nov 28 – Zhi

Nov 21 – Antonio

Nov 14 – Bing

Nov 7 – Farnaz

Oct 31 – Wenxiang

Oct 24 – Sebastian

Oct 17 – Surtirtha

Oct 10 – Bing

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 – Surtirtha: 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