Welcome Phalgun!

We are happy to welcome Phalgun Lolur to the team. Dr. Lolur joins us from MIT and will be working as a postdoctoral researcher in the OpenSuperQ project. His work will center around the use of quantum computers to perform quantum chemistry calculations.

Different views on chemical bonding analysis

J. Andrés, P. W. Ayers, R. A. Boto, R. Carbó-Dorca, J. Cioslowskie, H. Chermettef, J Contreras-Garcia, D. L. Cooper, G. Frenking, C. Gatti, F. Heidar-Zadeh, L. Joubert, Á. Martın Pendás, E. Matito, István Mayer, A. Misquitta, Y. Mo, J. Pilmé, P. L. A. Popelier, M. Rahm, E. Ramos-Cordoba, P. Salvador, W. H. E. Schwarz, S. Shahbazian, B. Silvi, M. Sola, K. Szalewicz, V. Tognetti, F. Weinhold, É. Zins
J. Comp. Chem., DOI: 10.1002/jcc.26003, 2019

A recently published article in which 30 authors share their different views on use and future development of Energy Decomposition Analyses. I am highlighting the EQC scheme, unique in that it allows for partitioning of energies from both experiments and quantum mechanical calculations.