{
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    "api_type": "NWO Projects API",
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      "name": "CC0 1.0 Universal",
      "url": "https://creativecommons.org/publicdomain/zero/1.0",
      "description": "To the extent possible under law, all copyright and related or neighbouring rights have been waived worldwide to the data made available through this API."
    },
    "documentation": "https://doi.org/10.5281/zenodo.14918287",
    "release_date": "2025-08-20T00:00:00",
    "funder": "https://doi.org/10.13039/501100003246",
    "ror_id": "https://ror.org/04jsz6e67",
    "date": "2026-11-04T00:00:00",
    "count": 1,
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  },
  "projects": [
    {
      "project_id": "SH-220-12",
      "title": "Efficient quantum Monte Carlo gradients for photo-chemical applications",
      "funding_scheme_id": 2271,
      "funding_scheme": "Rekentijd nationale computersystemen Rekentijd nationale computersystemen 2012 EW",
      "department": "Exacte en Natuurwetenschappen",
      "sub_department": "Exacte Wetenschappen",
      "start_date": "2012-11-16T00:00:00",
      "end_date": "2014-01-28T00:00:00",
      "reporting_year": 2012,
      "summary_nl": "We intend to implement and extensively benchmark accurate and computationally efficient inter-atomic forces in the framework of quantum Monte Carlo methods. These developments will allow us to perform calculations of the geometrical changes and dynamical relaxation following photo-excitation in complex bio-molecules. \n\nIn particular, we will take the first steps in the investigation of one of the most fundamental photo-induced processes in biology, namely, the primary event of vision in the vertebrate eye. Even though this process has been the subject of decades of theoretical and experimental studies, the debate on the exact nature of the molecular mechanism underlying this primary event is still open. With the requested CPU time, we will first perform an extensive investigation of the excited-state relaxation of retinal protonated Schiff base chromophores in the gas phase, ranging from small models to the full 11-cis chromophore.",
      "summary_en": "We intend to implement and extensively benchmark accurate and computationally efficient inter-atomic forces in the framework of quantum Monte Carlo methods. These developments will allow us to perform calculations of the geometrical changes and dynamical relaxation following photo-excitation in complex bio-molecules. \n\nIn particular, we will take the first steps in the investigation of one of the most fundamental photo-induced processes in biology, namely, the primary event of vision in the vertebrate eye. Even though this process has been the subject of decades of theoretical and experimental studies, the debate on the exact nature of the molecular mechanism underlying this primary event is still open. With the requested CPU time, we will first perform an extensive investigation of the excited-state relaxation of retinal protonated Schiff base chromophores in the gas phase, ranging from small models to the full 11-cis chromophore.",
      "project_members": [
        {
          "role": "Project leader",
          "member_id": 135576,
          "last_name": "Filippi",
          "degree_pre_nominal": "prof. dr.",
          "initials": "C.",
          "first_name": "Claudia",
          "organisation": "Universiteit Twente||Faculty of Science and Technology (TNW)||Applied Physics||Biomolecular Electronic Structure (BES)",
          "organisation_id": 79708,
          "ror": "https://ror.org/006hf6230",
          "active": false
        },
        {
          "role": "Main Applicant",
          "member_id": 135576,
          "last_name": "Filippi",
          "degree_pre_nominal": "prof. dr.",
          "initials": "C.",
          "first_name": "Claudia",
          "organisation": "Universiteit Twente||Faculty of Science and Technology (TNW)||Applied Physics||Biomolecular Electronic Structure (BES)",
          "organisation_id": 79708,
          "ror": "https://ror.org/006hf6230",
          "active": true
        }
      ],
      "products": [
        {
          "title": "Ground- and Excited-State Geometry Optimization of Small Organic Molecules with Quantum Monte Carlo",
          "year": 2013,
          "edition": "9",
          "start": 5513,
          "end": 5525,
          "type": "Wetenschappelijk artikel",
          "journal_title": "Journal of Chemical Theory and Computation",
          "authors": [
            {
              "last_name": "Guareschi",
              "initials": "R.",
              "role": "Auteur",
              "index_number": 1
            },
            {
              "last_name": "Filippi",
              "initials": "C.",
              "role": "Auteur",
              "index_number": 2
            }
          ]
        }
      ]
    }
  ]
}
