December, 29, 2017

Alexey's workshop "Modular Software Infrastructure for Excited State Dynamics" proposal has been funded by the MolSSI. We are excited to host it in the coming June, 2018 at UB!

December, 23 2017

Nijam's paper "Criticality of Symmetry in Rational Design of Chalcogenide Perovskites" has been accepted to J. Phys. Chem. Lett. . Check it out here: link We discuss how molecular and orbital symmetry can affect the magnitudes of nonadiabatic couplings and dephasing, hence affecting the lifetimes of the charge carriers in doped chalcogenide perovskites. Congrats, Nijam!

November, 25, 2017

An undergraduate biomedical engineering student Elizabeth Zdyb has joined our group. Welcome, Elizabeth!

October 25, 2017

Two new graduate students Anarzhan Abilgazy and Mahsa Jabbar have joined our group. Now, officially. Welcome, Anarzhan and Mahsa!

October 6, 2017

While being stuck in Russia (waiting for visa) Alexey came up with a new methodology for modeling slow nonadiabatic dynamics processes and provided emphasized the importance of deterministic modes. It is now published in: J. Phys. Chem. Lett. "Stochastic and Quasi-Stochastic Hamiltonians for Long-Time Nonadiabatic Molecular Dynamics" Check it out here: link

September 1, 2017

Another collaborative effort of Dr. Madjet and Dr. Akimov is finally published in J. Phys. Chem. Lett. The work is entitled "Cation Effect on Hot Carrier Cooling in Halide Perovskite Materials" Check it out here: link The article emphasizes that the nature and motion of cations in perovskite materials can substantially affect the rates of electron-hole recombination.

March 3, 2017

Nijam's paper "Excited-State Dynamics in Two-Dimensional Heterostructures: SiR/TiO2 and GeR/TiO2 (R = H, Me) as Promising Photocatalysts" has been accepted to J. Phys. Chem. C . Check it out here: link The article features a comprehensive investigation of molecular and electronic structures of the heterojunctions, as well as qualitative tends in excited states relaxation times. Good job, Nijam!