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20212026
most citedMissing theoretical evidence for conventional room temperature superconductivity in low enthalpy structures of carbonaceous sulfur hydrides

31 citations · 81 across the 11 of their papers we have counts for

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math.NA2026

Randomized Block Davidson Eigensolvers for Plane-Wave Density-Functional Theory

Moritz Gubler, Taejun Park, Augustin Bussy +4

Iterative diagonalization is the dominant cost of plane-wave density-functional theory (DFT), with search-space orthogonalization scaling particularly quickly with problem size and…

physics.chem-ph2026

RuNNer 2.0: A Software Suite for High-Dimensional Neural Network Potentials

Alexander L. M. Knoll, Moritz R. Schäfer, K. Nikolas Lausch +11

We present RuNNer 2.0, the "Ruhr University Neural Network energy representation", a highly optimized software suite for training and evaluating high-dimensional neural network pot…