49 citations · 113 across the 9 of their papers we have counts for
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When Theory Meets Experiment: What Does it Take to Accurately Predict H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory?
Dietmar Paschek, Johanna Busch, Angel Mary Chiramel Tony +5
In this contribution, we compute the H nuclear magnetic resonance (NMR) relaxation rate of liquid water at ambient conditions. We are using structural and dynamical information…
Nuclear Quantum Effects in Liquid Water Are Negligible for Structure but Significant for Dynamics
Nore Stolte, János Daru, Harald Forbert +2
Isotopic substitution, which can be realized both in experiment and computer simulations, is a direct approach to assess the role of nuclear quantum effects on the structure and dy…
Random sampling versus active learning algorithms for machine learning potentials of quantum liquid water
Nore Stolte, János Daru, Harald Forbert +2
Training accurate machine learning potentials requires electronic structure data comprehensively covering the configurational space of the system of interest. As the construction o…
Synthesis and stability of biomolecules in C-H-O-N fluids under Earth's upper mantle conditions
Tao Li, Nore Stolte, Renbiao Tao +3
How life started on Earth is an unsolved mystery. There are various hypotheses for the location ranging from outer space to the seafloor, subseafloor or potentially deeper. Here, w…