NWChemEx swMATH ID: 42181 Software Authors: Karol Kowalski, et al. Description: The NWChemEx project is redesigning and reimplementing NWChem for pre-exascale and exascale computers. NWChemEx is based on NWChem, an open-source, high-performance parallel computational chemistry code funded by the DOE Biological and Environmental Research (BER) program that provides a broad range of capabilities for modeling molecular systems. NWChemEx will support a broad range of chemistry research important to DOE BER and DOE Basic Energy Sciences on computing systems that range from terascale workstations and petascale servers to exascale computers. Homepage: https://www.hpcwire.com/2021/04/29/nwchemex-computational-chemistry-code-for-the-exascale-era/ Related Software: SISLICE; SIESTA; EVSL; k-means++; ELPA; SparseMatrix; ARPACK; METIS; MUMPS; ScaLAPACK; PARDISO; LAPACK Cited in: 1 Publication Cited by 2 Authors 1 Beckman, Paul G. 1 Williams-Young, David B. Cited in 1 Serial 1 ACM Transactions on Mathematical Software Cited in 1 Field 1 Numerical analysis (65-XX) Citations by Year