Discovering chemistry with an ab initio nanoreactor

por Wang, Lee-Ping, Titov, Alexey, McGibbon, Robert, Liu, Fang, Pande, Vijay S., Martínez, Todd J.
Publicado 2014

Quantum chemical benchmark databases of gold-standard dimer interaction energies

por Donchev, Alexander G., Taube, Andrew G., Decolvenaere, Elizabeth, Hargus, Cory, McGibbon, Robert T., Law, Ka-Hei, Gregersen, Brent A., Li, Je-Luen, Palmo, Kim, Siva, Karthik, Bergdorf, Michael, Klepeis, John L., Shaw, David E.
Publicado 2021

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

por Eastman, Peter, Swails, Jason, Chodera, John D., McGibbon, Robert T., Zhao, Yutong, Beauchamp, Kyle A., Wang, Lee-Ping, Simmonett, Andrew C., Harrigan, Matthew P., Stern, Chaya D., Wiewiora, Rafal P., Brooks, Bernard R., Pande, Vijay S.
Publicado 2017