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Journal of Chemical Theory and Computation|December 7, 2018
A Finite-Field Approach for GW Calculations beyond the Random Phase ApproximationHe Ma, Marco Govoni, Francois Gygi, et al.Proceedings of the National Academy of Sciences of the United States of America|September 24, 2008
Melting of ice under pressureEric Schwegler, Manu Sharma, François Gygi, et al.Social Cognitive and Affective Neuroscience|December 4, 2012
Emotion regulation modulates anticipatory brain activity that predicts emotional memory encoding in womenGiulia Galli, Victoria A Griffiths, Leun J OttenJournal of Chemical Theory and Computation|June 23, 2016
Implementation and Validation of Fully Relativistic GW Calculations: Spin-Orbit Coupling in Molecules, Nanocrystals, and SolidsPeter Scherpelz, Marco Govoni, Ikutaro Hamada, et al.Journal of Chemical Theory and Computation|February 15, 2023
Quantum Simulations of Fermionic Hamiltonians with Efficient Encoding and Ansatz SchemesBenchen Huang, Nan Sheng, Marco Govoni, et al.Physical Review Letters|July 13, 2004
Self-healing of CdSe nanocrystals: first-principles calculationsAaron Puzder, A J Williamson, François Gygi, et al.The Journal of Chemical Physics|September 9, 2004
Towards an assessment of the accuracy of density functional theory for first principles simulations of water. IIEric Schwegler, Jeffrey C Grossman, Francois Gygi, et al.Accounts of Chemical Research|October 8, 2021
Integrating Computation and Experiment to Investigate Photoelectrodes for Solar Water Splitting at the Microscopic ScaleWennie Wang, Andjela Radmilovic, Kyoung-Shin Choi, et al.The Journal of Physical Chemistry. A|January 2, 2010
Van der waals interactions in molecular assemblies from first-principles calculationsYan Li, Deyu Lu, Huy-Viet Nguyen, et al.Nano Letters|December 12, 2017
Emergent Electronic and Dielectric Properties of Interacting Nanoparticles at Finite TemperatureArin R Greenwood, Márton Vörös, Federico Giberti, et al.Pageof 41