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760, 774, 841, 1040, 1168, 1190, 1434, 1556, 1740], 'its': [240, 735, 2234], 'crowning': [241], 'distinguishing': [243], 'feature.': [244], 'Its': [245], 'stock-in-trade': [246], 'are': [247, 296, 302, 336, 357, 379, 414, 436, 447, 467, 484, 575, 739, 771, 796, 815, 830, 887, 1180, 1345, 1384, 1417, 1463, 1544, 1638, 1646, 1909, 1987, 2275, 2317, 2359], 'experimental': [248, 307, 364, 432, 445, 1084, 1361], 'facts,': [249], 'observations': [250, 305], 'theories': [252, 405, 481], 'which': [253, 424, 443, 475, 628, 648, 798, 825, 852, 1485, 1664, 1685, 1908, 1986, 2031, 2071, 2183, 2282], 'do': [254, 1565, 1789], 'not': [255, 603, 928, 1566], 'depend': [256, 334], 'who': [258], 'reports': [259], 'them': [260, 509], 'but': [261, 434, 1572, 1643], 'rather': [262], 'the': [264, 267, 291, 330, 347, 351, 358, 372, 382, 407, 451, 480, 526, 538, 564, 573, 580, 592, 621, 626, 642, 651, 658, 663, 670, 673, 693, 698, 727, 732, 808, 874, 891, 910, 915, 919, 931, 942, 963, 966, 1029, 1048, 1059, 1062, 1073, 1090, 1107, 1125, 1131, 1135, 1163, 1183, 1201, 1215, 1293, 1300, 1305, 1310, 1315, 1349, 1352, 1355, 1364, 1377, 1420, 1440, 1457, 1482, 1492, 1498, 1521, 1527, 1531, 1548, 1579, 1583, 1605, 1620, 1631, 1649, 1652, 1669, 1701, 1711, 1720, 1793, 1798, 1803, 1824, 1833, 1843, 1889, 1899, 1946, 1949, 1968, 1975, 1994, 2043, 2076, 2103, 2130, 2178, 2193, 2226, 2243, 2246, 2322, 2326, 2333, 2370, 2389, 2392, 2424, 2451, 2854, 2886, 2937, 3070, 3127], 'notion': [265, 1632], 'that': [266, 479, 505, 546, 572, 591, 1009, 1383, 1448, 1456, 1603, 1823, 2016, 2255, 2339], 'same': [268, 373], 'findings': [269, 687], 'would': [270, 488], 'be': [271, 323, 326, 340, 426, 469, 854, 985, 1011, 1254, 1745], 'obtained': [272, 1068], 'anyone': [274], 'else': [275], 'performing': [276], 'similar': [277, 2351], 'procedures.': [278], 'This': [279, 840, 2294, 3077], 'what': [281, 555, 595], 'meant': [283], 'scientific': [285, 686, 705, 755, 2039, 2067, 2208, 2247, 2290, 2775], 'reproducibility.': [286, 2503, 2826], 'That,': [287], 'at': [288, 800, 2141, 2391], 'least,': [289], 'aspiration.': [292], 'In': [293, 381, 938, 1258, 1304, 1585, 1993, 2112, 2210], 'practice,': [294], 'things': [295, 2187], 'often': [297, 458, 1464, 1910], 'less': [298], 'clear': [299, 1921], 'cut.': [300], 'Theories': [301], 'built': [303, 409], 'data.': [308, 2299], 'They': [309, 421, 899, 991, 1053, 1092, 1490, 1525, 1655, 1811, 1854, 2143], 'involve': [310], 'a': [311, 362, 392, 398, 585, 710, 761, 821, 843, 945, 969, 973, 981, 988, 1032, 1148, 1218, 1222, 1233, 1238, 1296, 1321, 1395, 1435, 1597, 1681, 1687, 1751, 1774, 1784, 1807, 1829, 1920, 1929, 2014, 2023, 2145, 2161, 2174, 2223, 2231, 2237, 2350, 2401, 2585, 2737, 2766, 2858], 'process': [312, 1225], 'logical': [314, 348], 'thought': [315, 478], 'based': [316, 1385, 1689], 'mathematical': [318], 'methods.': [319, 615], 'These': [320], 'can': [321, 507, 548, 853, 1253, 1744, 1858, 2198, 2709], 'sometimes': [322], 'found': [324], 'error': [328, 376, 1570], 'because': [329], 'empirical': [331], 'data': [332, 446, 1085, 1362, 1860], 'they': [333, 435, 547, 926, 1244, 1512, 1791], 'subsequently': [337], 'shown': [338], 'wrong;': [341], 'or': [342, 612, 747, 868, 1013, 1934], 'there': [343, 356, 795], 'were': [344], 'errors': [345, 606, 624, 637, 647], 'development': [349, 1499, 1554, 2371], 'theory': [352], 'propounded.': [353], 'And': [354, 471], 'then': [355], 'many': [359, 1153, 1177, 1483, 1904, 1984], 'differences': [360, 1099], 'between': [361, 1100, 1651, 2133, 2261], 'given': [363], 'set': [365, 946, 974, 1529], 'up': [366, 1096], 'others': [368, 814], 'used': [369, 702, 912, 1346], 'measure': [371], 'thing,': [374], 'so': [375, 764], 'inevitable.': [380], 'modern': [383, 454, 1777], 'era': [384], 'science,': [386, 455, 525], 'computers': [387, 461, 2711], 'come': [389, 649], 'play': [391], 'central': [393, 1192], 'role.': [394], 'simulation': [396, 493, 586, 804, 982, 1166, 1502, 1509, 1893, 2100, 2583, 2688, 3145], 'way': [399], 'extracting': [401], 'useful': [402], 'information': [403], 'from': [404, 608, 630, 645, 650, 716, 751, 753, 884, 933, 1001, 1069, 1400, 1460, 1762, 1963, 2321, 2332, 2443, 2677], 'models': [408, 413, 483, 864, 1179, 1252], 'using': [410, 688, 1232, 1279, 1363, 1668, 2057], 'them.': [411], 'Such': [412], 'typically': [415], 'impossible': [416], 'analyse': [418], 'without': [419, 1919], 'computers.': [420], 'produce': [422], 'results': [423, 463, 574, 883, 916, 932, 959, 1000, 1060, 1132, 1454], 'may': [425, 1010], 'designed': [427], 'comparison': [429, 1108, 1359], 'against': [430, 1083], 'existing': [431, 875, 1329, 1867, 1964], 'measurements;': [433], 'also': [437, 1112], 'capable': [438], 'making': [440, 956, 1534], 'predictions': [441, 517, 1353], 'no': [444, 2297, 2311], 'available.': [448], 'Owing': [449], 'sophistication': [452], 'such': [456, 567, 782, 806, 1174, 1178, 1206, 1461, 1487], 'calculations': [457, 1403], 'require': [459], 'powerful': [460], 'if': [462], 'any': [465, 605, 934, 2169], 'kind': [466], 'forthcoming.': [470], 'situations': [473], 'it': [476, 596, 773, 1709, 1978], 'sufficiently': [485, 503], 'accurate,': [486], 'one': [487, 634, 1088], 'like': [489], 'use': [491, 508, 541, 652, 1493, 1513, 1792, 1982, 2244], 'computer-based': [492, 1488, 1879], 'order': [495, 833, 1005], 'make': [497, 511], 'actionable': [498, 516, 550], 'predictions—predictions': [499], 'whose': [500, 1431], 'credibility': [501], 'great': [504], 'we': [506, 540, 2708, 2714], 'important': [512, 2367], 'decisions.': [513], 'Examples': [514], 'occur': [518], 'weather': [520], 'forecasts,': [521], 'environmental': [522], 'disasters,': [523], 'climate': [524, 1239], 'design': [527], 'advanced': [529, 2081], 'materials,': [530], 'drug': [531, 1405], 'discovery': [532, 1406], 'clinical': [534], 'decision': [535], 'making.': [536], 'Are': [537, 2969], 'methods': [539, 805, 829, 1335, 1450, 1779, 1894, 1907, 2027], 'today': [542], 'sufficient': [544], 'reliability': [545], 'generate': [549], 'results?': [551], 'That': [552], 'question': [553], 'theme': [557, 665, 793, 2355, 2374, 2402], 'issue': [558, 666, 708, 2403, 3083], 'about.': [560], 'Three': [561], 'notions': [562], 'inform': [563], 'assessment': [565], 'reliability.': [568], 'First,': [569], 'validation:': [570], 'confirmation': [571], 'agreement': [577], 'with': [578, 749, 817, 1121, 1221, 1314, 1360, 1530, 1710, 1797, 2087, 2745], 'experiment,': [579], 'litmus': [581], 'test': [582], 'whether': [584], 'credible.': [588], 'Second,': [589], 'verification:': [590], 'software': [593, 2120, 2154, 2258, 2801], 'does': [594, 602], 'supposed': [598], 'do,': [600], 'contain': [604], 'arising': [607, 644], 'an': [609, 857, 1507, 1695, 1769, 2344, 2684], 'incorrect': [610, 613], 'implementation': [611, 1658], 'numerical': [614, 1033], 'Third,': [616], 'quantification:': [618], 'identification': [619], 'provenance': [622], 'within': [625, 820, 862, 1299, 1410, 1582, 1750], 'model,': [627], 'stem': [629], 'two': [631, 1070, 1660, 2262], 'distinct': [632], 'sources,': [633], 'being': [635], 'systematic': [636], 'due': [638, 1426], 'parameter': [640, 1541], 'estimation,': [641], 'other': [643, 778, 1944, 2186], 'random': [646, 654, 1817], 'number': [655, 1722], 'generators': [656], 'code.': [659], 'purpose': [661], 'present': [664, 1596, 2062], 'survey': [669, 2224], 'state': [671, 1298, 1819], 'art': [674], 'domain.': [677, 728, 1616], 'emphasis': [679], 'seeking': [682], 'obtain': [684], 'reproducible': [685, 2257, 2267], 'computers,': [689], 'quantify': [692], 'level': [694], 'codes': [699], 'procedures': [701, 1287], 'contemporary': [704], 'research.': [706, 1019], 'contains': [709], 'total': [711], 'fourteen': [713], 'papers,': [714], 'ranging': [715], 'research': [717, 844, 1151, 1961, 2122, 2734, 2803], 'articles': [718, 1003], 'opinion': [720], 'pieces': [721], 'reviews': [723], 'aspects': [725, 2074], 'diversity': [730], 'topics': [733], 'underlines': [734], 'trans-disciplinary': [736], 'character.': [737], 'There': [738], 'computer': [742, 1892, 2238], 'scientists,': [745], 'alongside': [746, 2384], 'together': [748], 'contributions': [750, 2301], 'authors': [752, 943, 964, 1325, 1446, 1882, 2061, 2303, 2309, 2316], 'established': [754], 'domains.': [756, 839], 'While': [757], 'well-established': [762], 'field': [763, 1049], 'far': [765], 'as': [766, 783, 807, 972, 1563, 1640, 1869, 1871, 1912, 2277, 2736], 'engineers': [767], 'applied': [769, 1647, 1693, 1911], 'mathematicians': [770], 'concerned,': [772], 'relatively': [775], 'uncommon': [776], 'branches': [779], 'physics': [784], 'chemistry,': [786], 'life': [787, 3071], 'medical': [789], 'sciences.': [790], 'Within': [791, 921], 'issue,': [794, 2375], 'look': [799], 'single-scale': [801, 828, 850], 'modelling': [802, 876, 1102, 1273, 1476, 1766, 2681, 3143], 'well-known': [809], 'molecular': [810, 1388, 1424, 2559], 'dynamics': [811], 'approach,': [812], 'while': [813], 'concerned': [816], 'multiscale': [822, 863, 1261, 1281, 1356, 2532, 2624], 'context,': [823], 'multiple': [826, 1209], 'different': [827, 2066, 2073], 'connected': [831], 'bridge': [835], 'spatial': [836], 'temporal': [838], 'currently': [842], 'frontier': [845], 'quantification;': [848], 'unlike': [849], 'approaches,': [851], 'implemented': [855], 'unobtrusive': [858], 'manner,': [859], 'quantifying': [860], 'frequently': [865], 'requires': [866, 1285], 'semi-intrusive': [867, 1634], 'fully': [870, 929, 1741], 'intrusive': [871], 'modifications': [872], 'code': [877, 911, 983, 2085], 'base.': [878], 'practicalities': [880], 'reproducing': [882, 2207, 2444], 'studies': [886, 905, 1071, 1167, 2475], 'made': [888, 1581], 'evident': [889], 'work': [892], 'presented': [893, 917, 1086, 1133], 'Krafczyk': [895, 2431], 'et': [896, 1267, 1373, 1469, 1593, 1677, 1756, 2010, 2762], 'al.': [897, 1268, 1374, 1470, 1594, 1678, 1757, 2011, 2763], '[1].': [898], 'examine': [900], 'over': [901], 'three': [902, 2447], 'hundred': [903], 'attempt': [907], 'access': [909, 1122, 2021], 'recreate': [914], 'articles.': [920], 'their': [922, 957, 996, 1081, 1101, 1230, 1428, 1614, 1657, 1924], 'self-imposed': [923], 'time': [924], 'limits,': [925], 'could': [927], 'reproduce': [930, 999], 'these': [936, 1535, 1551], 'papers.': [937], 'response': [939], 'this,': [941, 1790], 'propose': [944], 'Reproducibility': [948], 'Principles': [949], 'Guidelines': [951], 'assist': [953], 'researchers': [954, 2167], 'reproducible.': [960, 2270], 'Complementing': [961], 'these,': [962], 'outline': [965], 'structure': [967], 'Reproduction': [970], 'Package': [971], 'documentation': [976], 'files': [978, 1140], 'allow': [980], 'reproduced': [986], 'straightforward': [989, 2046], 'manner.': [990], 'provide': [992, 1451, 1680], 'several': [993], 'vignettes': [994], 'describing': [995], 'efforts': [997], 'published': [1002], 'highlight': [1007, 2072], 'issues': [1008], 'overlooked': [1012], 'neglected': [1014], 'when': [1015, 2713], 'reporting': [1016], 'A': [1020, 1998, 2458, 2483, 2508, 2540, 2565, 2595, 2630, 2658, 2694, 2720, 2752, 2781, 2810, 2822, 2831, 3058], 'prime': [1021], 'example': [1022], 'good': [1024], 'practice': [1025], 'both': [1027], 'evaluating': [1028], 'performance': [1030], 'model': [1034, 1082, 1220, 1240, 1312, 1357, 1706, 1725, 2502], 'adherence': [1036], 'standards': [1039], 'provided': [1041, 1418], 'Clementi': [1043, 2466], '&': [1044, 1195, 1839], 'Barba': [1045, 2468], '[2]': [1046], 'nanoscale': [1051, 2477], 'electrostatics.': [1052], 'commence': [1054], 'attempting': [1056], 'replicate': [1058], 'resonance': [1063], 'modes': [1064], 'silicon': [1066], 'carbide': [1067], 'literature': [1074, 2227], 'extend': [1076], 'validation': [1079, 1110, 2412, 2472, 2769, 3092], 'studies.': [1091, 1489], 'successfully': [1093, 1735], 'achieve': [1094], 'replication': [1095, 2474], 'fundamental': [1098, 2823], 'approach': [1103, 1555, 1692, 1947], 'those': [1105], 'papers;': [1109], 'was': [1111], 'successful.': [1113], 'application': [1115], 'packages': [1118], 'provides': [1119, 2222], 'readers': [1120, 1749], 'all': [1124, 2036], 'digital': [1126], 'artefacts': [1127], 'needed': [1128], 'create': [1130], 'study—including': [1136], 'source': [1137, 1615, 2119, 2157, 2800], 'code,': [1138], 'input': [1139, 1188], 'post-processing': [1142], 'scripts.': [1143], 'Numerical': [1144], 'simulations': [1145, 1212, 1262, 1382, 1393, 1462, 2533], 'become': [1147], 'cornerstone': [1149], 'fields': [1154], 'engineering.': [1158], 'With': [1159], 'prevalence,': [1161], 'ensuring': [1162, 1875], 'key': [1169, 2107, 2278], 'maintaining': [1171], 'confidence': [1172], 'work.': [1175], 'Although': [1176], 'deterministic,': [1181], 'understanding': [1182, 1922], 'sensitivity': [1184, 1339, 1495, 1517, 1549, 1577, 2050, 2108], 'outputs': [1186], 'variation': [1189], 'importance.': [1193], 'Volodina': [1194, 2491], 'Challenor': [1196, 2493], '[3]': [1197], 'seek': [1198], 'overcome': [1200], 'expense': [1203], 'gaining': [1205], 'insight': [1207], 'through': [1208, 1540, 1659], '(i.e.': [1210], 'ensemble)': [1211], 'capturing': [1214], 'characteristics': [1216, 1248], 'complex': [1219, 1250, 1917], 'cheaper': [1223], 'Gaussian': [1224], 'emulator.': [1226], 'Through': [1227, 2242], 'demonstration': [1228], 'methodology': [1231], 'simple': [1234], 'one-dimensional': [1235], 'function': [1236], 'cloud': [1242], 'behaviour,': [1243], 'illustrate': [1245], 'how': [1246, 1473, 2188], 'deterministic': [1251], 'assessed': [1255], 'interpreted.': [1257], "'Towards": [1259], 'validated': [1260, 2531], "fusion'": [1264], '[4],': [1265], 'Luk': [1266, 2516, 2613], 'apply': [1269, 1773], 'nuclear': [1274, 1308], 'fusion': [1275], 'energy': [1277], 'production': [1278], 'coupled': [1280, 1610, 1667], 'simulations.': [1282, 2040, 2653, 2776], 'Time-scale': [1283], 'bridging': [1284, 1334], 'standardized': [1286], 'determine': [1289], 'scale': [1290], 'separation': [1291], 'existence': [1294], 'steady': [1297, 1322], 'fastest': [1301], 'evolving': [1302], 'model.': [1303, 2689], 'case': [1306, 2114, 2175, 2586, 2795], 'fusion,': [1309], 'turbulence': [1311], 'associated': [1313], 'plasma': [1316], 'instabilities': [1317], 'needs': [1318], 'reach': [1320], 'state.': [1323], 'discuss': [1326, 1376, 1842], 'compare': [1328, 1958], 'newly': [1331], 'introduced': [1332], 'time-scale': [1333], 'means': [1337, 2029], 'analysis.': [1340], 'Furthermore,': [1341], 'quantitative': [1342], 'probabilistic': [1343], 'metrics': [1344], 'assess': [1348, 1855, 2035], 'validity': [1350], 'Hellinger': [1365], 'distance,': [1366], 'Jensen-Shannon': [1367], 'divergence': [1368], 'Wasserstein': [1370], 'metric.': [1371], 'Wan': [1372, 2548, 2960], '[5]': [1375], 'classical': [1387, 2558], 'dynamics.': [1389, 2560], 'paper': [1391, 1618, 1865, 1995, 2172, 2212], 'addresses': [1392], 'wide': [1396, 2024], 'range': [1397, 1775, 1808, 2025, 2146], 'applications': [1399, 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