LeanLJ computes Lennard-Jones energies and long-range corrections in periodic boundaries using Lean 4, with proofs about the mathematical functions and numerical agreement with NIST SRSW benchmarks.
Molecular Modelling: Principles and Applications
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.stat-mech 1years
2025 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Benchmarking Energy Calculations Using Formal Proofs
LeanLJ computes Lennard-Jones energies and long-range corrections in periodic boundaries using Lean 4, with proofs about the mathematical functions and numerical agreement with NIST SRSW benchmarks.