Search papers, labs, and topics across Lattice.
4
0
3
Widely used simulations of liquid water are surprisingly inconsistent, with errors exceeding 20% in key properties, but this work provides a robust, reproducible benchmark.
Widely used short-ranged MLIPs can spuriously predict metallization in water due to missing long-range electrostatics, a flaw that can be fixed by including these interactions explicitly.
Achieve sub-chemical accuracy in predicting the lattice energies of complex molecular crystals, including drug-like molecules, at DFT-level computational cost, unlocking high-throughput polymorph screening.
