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    "documentation": "https://doi.org/10.5281/zenodo.14918287",
    "release_date": "2025-08-20T00:00:00",
    "funder": "https://doi.org/10.13039/501100003246",
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    {
      "project_id": "680-91-083",
      "title": "A light in the dark: quantum Monte Carlo meets solar energy conversion",
      "funding_scheme_id": 3175,
      "funding_scheme": "Computational Sciences for Energy Research (CSER) Joint CSER & eScience Research Programme 2017",
      "department": "Exacte en Natuurwetenschappen",
      "sub_department": "Exacte en Natuurwetenschappen",
      "start_date": "2018-06-01T00:00:00",
      "end_date": "2022-08-31T00:00:00",
      "reporting_year": 2017,
      "summary_nl": "Om de mechanismen te begrijpen die de omzetting van zonne-energie in andere nuttige vormen van energie bepalen, zijn geavanceerde kwantummechanische benaderingen nodig om de licht-oogstcomponent en daaropvolgende fenomenen zoals de ladingsvoortplanting in de elektronische aangeslagen toestand te beschrijven. Het berekenen van aangeslagen toestanden is zeer veeleisend voor elektronische structuurmethoden, die vaak moeite hebben om nauwkeurigheid te garanderen of grote systeemgroottes te behandelen. Om deze beperkingen te overwinnen, hebben wij gewerkt in het verfijnde kader van de quantum Monte Carlo methoden, waarbij wij efficiënte software en algoritmen hebben ontwikkeld voor de nauwkeurige behandeling van foto-geïnduceerde processen.",
      "summary_en": "Understanding the mechanisms which govern solar energy conversion into other beneficial forms of energy in natural and artificial systems requires advanced quantum mechanical approaches to describe the light-harvesting component and subsequent phenomena such as charge propagation in the electronic excited state. Computing excited states, however, is highly demanding for electronic structure methods, which often struggle to ensure accuracy or treat large system sizes. To overcome these limitations, we worked in the sophisticated framework of many-body quantum Monte Carlo methods, developing efficient software and algorithms for the accurate treatment of photo-induced processes.",
      "award_amount": 247205,
      "grant_id": "https://doi.org/10.61686/ZTZKS51260",
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        {
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          "member_id": 387686,
          "last_name": "Cuzzocrea",
          "initials": "A",
          "first_name": "Alice",
          "organisation": "Universiteit Twente||Faculty of Science and Technology (TNW)",
          "organisation_id": 62024,
          "ror": "https://ror.org/006hf6230",
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          "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
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          "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": true
        }
      ],
      "products": [
        {
          "title": "Reference excitation energies of increasingly large molecules: a QMC study of cyanine dyes",
          "year": 2022,
          "edition": "18",
          "start": 1089,
          "end": 1095,
          "type": "Wetenschappelijk artikel",
          "url_open_access": "https://pubs.acs.org/doi/10.1021/acs.jctc.1c01162",
          "journal_title": "J. Chem. Theory Comput.",
          "authors": [
            {
              "last_name": "Cuzzocrea",
              "initials": "A",
              "role": "Auteur"
            },
            {
              "last_name": "Scemama",
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              "role": "Auteur"
            },
            {
              "last_name": "Filippi",
              "initials": "C",
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            },
            {
              "last_name": "Moroni",
              "initials": "S",
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            }
          ]
        },
        {
          "title": "Variational principles in quantum Monte Carlo: the troubled story of variance minimization",
          "year": 2020,
          "edition": "16",
          "start": 4203,
          "end": 4212,
          "type": "Wetenschappelijk artikel",
          "url_open_access": "https://pubs.acs.org/doi/10.1021/acs.jctc.0c00147",
          "journal_title": "J. Chem. Theory Comput.",
          "authors": [
            {
              "last_name": "Cuzzocrea",
              "initials": "A",
              "role": "Auteur"
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            {
              "last_name": "Scemama",
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              "last_name": "Filippi",
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            {
              "last_name": "Briels",
              "initials": "W.J.",
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          ]
        },
        {
          "title": "From vertical excitations towards excited-state relaxation: a journey with quantum Monte Carlo",
          "year": 2022,
          "edition": "1",
          "type": "Proefschrift",
          "journal_title": "University of Twente",
          "city": "Enschede",
          "authors": [
            {
              "last_name": "Cuzzocrea",
              "initials": "A",
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