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Despite the availability of computational packages within the ML-MCTDH framework, executing these calculations seamlessly is not a straightforward task. Typically, substantial efforts are necessitated to configure the correct inputs for ML-MCTDH calculations, which require to correctly define several non-trivial parameters, to reasonably setup the optimal tree expansion of wavefunctions, and to properly select basis function numbers. To address these challenges, we have developed an auxiliary package named ML-MCTDH-Aid, which facilitates the setup of ML-MCTDH calculations using the Heidelberg MCTDH package in a user-friendly manner. This package is primarily tailored to handle the high-dimensional nonadiabatic dynamics governed by the Hamiltonian composed of several electronic states, several vibrational modes and their linear vibronic coupling terms. It automatically generates multiple essential input files, and all the calculations can be performed in an all-in-one black-box easy-to-use manner. To show the utility of the ML-MCTDH-Aid package, we provide a step-by-step tutorial that demonstrates running ML-MCTDH studies on three models. These examples illuminate how the utilization of the ML-MCTDH-Aid package significantly enhances the efficiency and effectiveness of ML-MCTDH calculations. This substantially boosts the accessibility of ML-MCTDH calculations in tackling the high-dimensional quantum dynamics of complex systems.<\/jats:p>","DOI":"10.1063\/5.0240580","type":"journal-article","created":{"date-parts":[[2025,2,4]],"date-time":"2025-02-04T10:59:07Z","timestamp":1738666747000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":4,"title":["ML-MCTDH-Aid: An auxiliary package for multilayer multiconfiguration time-dependent Hartree calculations"],"prefix":"10.1063","volume":"162","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6223-6735","authenticated-orcid":false,"given":"Jie","family":"Zheng","sequence":"first","affiliation":[{"name":"Industrial Research Institute of Nonwovens and Technical Textiles, Shandong Center for Engineered Nonwovens (SCEN), College of Textiles Clothing, Qingdao University 1 , Qingdao 266071,","place":["People\u2019s Republic of China"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8925-6958","authenticated-orcid":false,"given":"Yu","family":"Xie","sequence":"additional","affiliation":[{"name":"POWERCHINA, SEPCOIII Electric Power Construction Co., Ltd. 2 , Qingdao 266061,","place":["People\u2019s Republic of China"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-4004-0612","authenticated-orcid":false,"given":"Jiawei","family":"Peng","sequence":"additional","affiliation":[{"name":"Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety and MOE Key Laboratory of Environmental Theoretical Chemistry, SCNU Environmental Research Institute, School of Environment, South China Normal University 3 , Guangzhou 510006,","place":["People\u2019s Republic of China"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zhaohui","family":"Han","sequence":"additional","affiliation":[{"name":"POWERCHINA, SEPCOIII Electric Power Construction Co., Ltd. 2 , Qingdao 266061,","place":["People\u2019s Republic of China"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8509-0388","authenticated-orcid":false,"given":"Zhenggang","family":"Lan","sequence":"additional","affiliation":[{"name":"Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety and MOE Key Laboratory of Environmental Theoretical Chemistry, SCNU Environmental Research Institute, School of Environment, South China Normal University 3 , Guangzhou 510006,","place":["People\u2019s Republic of China"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2025,2,4]]},"reference":[{"key":"2025020410590028100_c1","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.physrep.2014.12.001","volume":"567","year":"2015","journal-title":"Phys. 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