Ab initio quantum chemistry with neural-network wavefunctions
- Jan Hermann
- James Spencer
- et al.
- 2023
- Nature Reviews Chemistry
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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3 results for Frank Noé
Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics
- Jan-Hendrik Prinz
- John D. Chodera
- et al.
- 2011
- Journal of Chemical Physics
Dynamical reweighting: Improved estimates of dynamical properties from simulations at multiple temperatures
- John D. Chodera
- William C. Swope
- et al.
- 2011
- Journal of Chemical Physics