• Our paper showcasing the EOP procedure and its application in EFP2 is on the cover of J. Comput. Chem.

• Our paper about application of EOP procedure to the Frenkel Hamiltonian and EET has been published in Phys. Chem. Chem. Phys.

DOI

• Our paper showcasing the EOP procedure and its application in EFP2 has been published in J. Comput. Chem.

DOI

• The Quantum Chemistry Workshop has just been released with DOI

DOI

• The EOPDev code has just been released for the first time

Software

DOI

• Our paper Ab Initio Effective One-Electron Potential Operators: Applications for Charge-Transfer Energy in Effective Fragment Potentials has been accepted for publication in J. Comput. Chem.

Go to PrePrint

• Quantum Chemistry Workshop for Students and Scientific Staff

Quantum Chemistry with Python - Developing Own Scientific Ideas

When: 23-25/09/2019; 8:00-13:00 CEST

Where: Wroclaw University of Science and Technology, Department of Chemistry, Building C-6, Room 10

Available seats: 1-15

Admission: The course admission is closed.

Want to join?: Send email to bartosz.blasiak@pwr.edu.pl

Go to the Workshop

• New postdoc Joanna Bernacka joined our group in April. Congratulations.

• New postdoc Marta Chołuj joined our group in March. Congratulations.

• One-Particle Density Matrix Polarization Susceptibility Paper was just published in J. Chem. Phys.

Go to Paper here

• XXI Science Festival: Lecture for high school students

Molecular world in theorist's mind: The Kingdom of Quanta

(Świat cząsteczek pod lupą chemika teoretyka - Królestwo Kwantów)

When: 21/09/2018, 11:15 - 12:00 CEST (45 minutes)

Where: Politechnika Wrocławska, bud. A-2, ul. Łukasiewicza 2, s. 310

Available seats: 180

Admission: Free

Go to Festival's website