S iesta : Recent developments and applications

• Dielectric response of graphene and MoS2 nanopores in the detection of single amino acids

  2026 npj 2D Materials and Applications article Engineering Nanopore and Nanochannel Transport Studies Open access

  1

  citations
• Aggregation of hexanuclear mixed-valent [Co(II)4(Co(III)2] pivalates into 1D cluster-based coordination polymer

  2026 Solid State Sciences article Materials Science Magnetism in coordination complexes

  1

  citations
• Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations

  2023 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access

  58

  citations
• Independent and coherent transitions between antiferromagnetic states of few-molecule systems

  2023 Physical review. B./Physical review. B article Materials Science Magnetism in coordination complexes Open access

  3

  citations
• Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations

  2023 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

  1

  citations
• Common workflows for computing material properties using different quantum engines

  2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access

  40

  citations

6 results