271:
Some of the main results from
Barbatti's work have been picked by diverse news outlets. These media have dedicated special attention to his research on internal conversion of nucleobases, prebiotic reactions, and new chemical reactions and mechanisms. His work is also popularized through blog posts
240:
between the ground and the excited electronic states is formed by an electron transfer from the solvent to the excited chromophore. This solvent-chromophore electron-transfer mechanism has been predicted to occur in 7H-adenine in water.
254:
Currently, Barbatti and his team—the Light and
Molecules group —are focusing on method developments, attempting to extend the excited-state simulation methods into the nanosecond regime. In a collaboration with Pavlo Dral and
229:, they showed how UV irradiation can generate nucleobases out of inorganic components. Although this chemical reaction has been known since the 1960s, their work was the first one to unveil the exact reaction mechanism.
414:
Barbatti, Mario; Ruckenbauer, Matthias; Plasser, Felix; Pittner, Jiri; Granucci, Giovanni; Persico, Maurizio; Lischka, Hans (2014). "Newton-X: a surface-hopping program for nonadiabatic molecular dynamics".
565:
Boulanger, Eliot; Anoop, Anakuthil; Nachtigallova, Dana; Thiel, Walter; Barbatti, Mario (2013-07-29). "Photochemical Steps in the
Prebiotic Synthesis of Purine Precursors from HCN".
248:
have shown that CH...Cl hydrogen bonds can be formed in small molecules in the gas phase. This type of bond had previously been observed only in densely packed crystal structures.
1277:
1257:
222:
Although
Barbatti's research has been strongly oriented towards photoinduced processes in nucleic acids, he and his co-workers have contributed to many different sub-fields.
525:
Barbatti, Mario; Borin, Antonio Carlos; Ullrich, Susanne (2014), Barbatti, Mario; Borin, Antonio Carlos; Ullrich, Susanne (eds.), "Photoinduced
Processes in Nucleic Acids",
177:
2019: ERC Advanced Grant. Mario
Barbatti has been the first Brazilian scientist and the first computational chemist in France to receive this money grant to do research.
673:
de
Medeiros, Vanessa C.; de Andrade, Railton B.; LeitĂŁo, Ezequiel F. V.; Ventura, Elizete; Bauerfeldt, Glauco F.; Barbatti, Mario; do Monte, Silmar A. (2016-01-13).
816:
Pereira
Rodrigues, Gessenildo; Lopes de Lima, Thayana Maria; de Andrade, Railton Barbosa; Ventura, Elizete; do Monte, Silmar Andrade; Barbatti, Mario (2019-03-14).
219:, delivered a comprehensive map of the internal conversion channels of nucleobases. These results help to explain how DNA is stabilized after UV excitation.
939:
196:
Since 2007, Barbatti has been the leading developer of the Newton-X platform, a software collection for dynamics and spectrum simulations, using
116:
1094:
542:
54:
298:
1282:
789:
Barbatti, Mario; Nascimento, Marco
Antonio Chaer (2012-10-05). "Does the H+5 hydrogen cluster exist in dense interstellar clouds?".
725:"Hot and Cold Charge-Transfer Mechanisms in Organic Photovoltaics: Insights into the Excited States of Donor/Acceptor Interfaces"
245:
168:
140:
112:
68:
1272:
817:
233:
724:
458:
Barbatti, Mario; Aquino, Adélia J. A.; Szymczak, Jaroslaw J.; Nachtigallová, Dana; Hobza, Pavel; Lischka, Hans (2010-12-14).
674:
1287:
1267:
1262:
189:
By the end of 2019, Mario
Barbatti had published over 150 scientific works, which had been cited about 7000 times (
1167:
Solvent Matters! Effect of Environment on Photorelaxation (2014-08-06). "Spotlights on Recent JACS Publications".
201:
152:
107:
365:
1119:
251:
He has also contributed on topics in organic photodevices, astrochemistry, and atmospheric photochemistry.
1252:
256:
226:
1120:"Excited, but cold: Scientists unveil the secret of a reaction for prebiotic synthesis of organic matter"
136:
97:
1143:
1247:
832:
471:
237:
151:
software package for dynamics simulations. Mario Barbatti held an A*Midex Chair of Excellence at the
120:
1070:
1046:
864:
771:
655:
440:
43:
1184:
1003:
985:
921:
903:
856:
848:
763:
755:
705:
697:
647:
639:
590:
548:
538:
507:
489:
432:
329:
321:
205:
609:
1176:
993:
977:
911:
895:
840:
798:
747:
739:
689:
629:
621:
582:
574:
530:
497:
479:
424:
313:
260:
1021:
751:
634:
586:
197:
836:
475:
390:
998:
965:
916:
883:
502:
459:
209:
1241:
659:
144:
868:
775:
444:
299:"Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics"
236:
mechanism, allowing molecules quickly return to ground state. In this mechanism, a
216:
347:
981:
743:
317:
940:"Interview with Mario Barbatti, the first Brazilian ERC Advanced grant awardee"
259:, they implemented one of the first algorithms for nonadiabatic dynamics using
1188:
989:
907:
899:
852:
844:
759:
701:
643:
493:
436:
325:
174:
2019: Opening lecture of the XX Brazilian Symposium of Theoretical Chemistry.
484:
1007:
925:
860:
767:
709:
675:"Photochemistry of CH3Cl: Dissociation and CH···Cl Hydrogen Bond Formation"
651:
594:
578:
552:
511:
333:
1202:
1071:"Physicists uncover new data on adenine, a crucial building block of life"
884:"Simulation of Excitation by Sunlight in Mixed Quantum-Classical Dynamics"
693:
534:
277:
148:
64:
190:
1180:
802:
625:
428:
139:, and writer. He is specialized in the development and application of
529:, vol. 355, Springer International Publishing, pp. 1–32,
460:"Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases"
610:"Photorelaxation Induced by Water–Chromophore Electron Transfer"
208:, his research has focused on the simulations of the ultrafast
215:
Among his main contributions, Barbatti, in collaboration with
964:
Dral, Pavlo O.; Barbatti, Mario; Thiel, Walter (2018-10-04).
723:
Fazzi, Daniele; Barbatti, Mario; Thiel, Walter (2017-10-05).
1095:"Scientists Discover How Life is Formed Out of Dead Matter"
966:"Nonadiabatic Excited-State Dynamics with Machine Learning"
155:
between 2015 and 2019, where he is a professor since 2015.
818:"Photoinduced Formation of H-Bonded Ion Pair in HCFC-133a"
1203:"Quand Chlore et Hydrogène vivent une liaison électrique"
1231:
273:
1047:"How do DNA components resist damaging UV exposure?"
297:
Crespo-Otero, Rachel; Barbatti, Mario (2018-08-08).
185:
Scientific contributions, interests, and production
135:(born December 28, 1971) is a Brazilian physicist,
103:
93:
74:
60:
50:
28:
21:
164:2021: Fellow of the European Academy of Sciences.
366:"Les membres - Institut Universitaire de France"
464:Proceedings of the National Academy of Sciences
348:"European Academy of Sciences - Mario Barbatti"
8:
1278:Federal University of Rio de Janeiro alumni
391:"Mario Barbatti - Google Scholar Citations"
1258:Academic staff of Aix-Marseille University
888:Journal of Chemical Theory and Computation
791:International Journal of Quantum Chemistry
147:. He is also the leading developer of the
18:
997:
970:The Journal of Physical Chemistry Letters
915:
732:The Journal of Physical Chemistry Letters
633:
527:Photoinduced Phenomena in Nucleic Acids I
501:
483:
1169:Journal of the American Chemical Society
682:Journal of the American Chemical Society
614:Journal of the American Chemical Society
267:Popularization and presence in the media
1207:Archives des actualités de l'INC - CNRS
567:Angewandte Chemie International Edition
289:
117:Max Planck Institute for Coal Research
417:WIREs Computational Molecular Science
7:
55:Federal University of Rio de Janeiro
825:The Journal of Physical Chemistry A
244:Barbatti and his colleagues at the
180:2015: A*Midex Chair of Excellence.
14:
137:computational theoretical chemist
169:Institut Universitaire de France
141:mixed quantum-classical dynamics
113:Institut Universitaire de France
82:Institut Universitaire de France
69:Mixed quantum-classical dynamics
232:Barbatti also discovered a new
225:In 2013, in collaboration with
210:photochemistry and photophysics
882:Barbatti, Mario (2020-08-11).
752:11858/00-001M-0000-002E-9D60-C
635:11858/00-001M-0000-0024-A591-C
608:Barbatti, Mario (2014-07-23).
587:11858/00-001M-0000-0014-A349-D
1:
246:Federal University of Paraiba
16:Brazilian chemist (born 1971)
1022:"Electrons on the fast lane"
78:A*Midex Chair of Excellence
982:10.1021/acs.jpclett.8b02469
744:10.1021/acs.jpclett.7b02144
318:10.1021/acs.chemrev.7b00577
204:. Using dynamics and other
167:2021: Senior member of the
1304:
202:nuclear ensemble approach
126:
86:
900:10.1021/acs.jctc.0c00501
845:10.1021/acs.jpca.8b12482
206:quantum chemical methods
153:Aix Marseille University
145:molecular excited states
108:Aix Marseille University
485:10.1073/pnas.1014982107
1283:People from PetrĂłpolis
1273:Computational chemists
579:10.1002/anie.201303246
212:of organic molecules.
98:Theoretical Chemistry
1288:Theoretical chemists
1268:Brazilian scientists
1263:Brazilian physicists
694:10.1021/jacs.5b10573
535:10.1007/128_2014_569
238:conical intersection
121:University of Vienna
1232:Light and Molecules
1175:(31): 10821–10822.
837:2019JPCA..123.1953P
620:(29): 10246–10249.
476:2010PNAS..10721453B
470:(50): 21453–21458.
234:internal conversion
80:ERC Advanced Grant
44:Petropolis, Brazil
1181:10.1021/ja5076508
1099:Nature World News
976:(19): 5660–5663.
831:(10): 1953–1961.
803:10.1002/qua.24110
797:(19): 3169–3173.
738:(19): 4727–4734.
626:10.1021/ja505387c
573:(31): 8000–8003.
544:978-3-319-13370-6
429:10.1002/wcms.1158
395:scholar.google.de
312:(15): 7026–7068.
159:Honors and awards
143:for the study of
130:
129:
88:Scientific career
32:December 28, 1971
1295:
1218:
1217:
1215:
1214:
1199:
1193:
1192:
1164:
1158:
1157:
1155:
1154:
1140:
1134:
1133:
1131:
1130:
1116:
1110:
1109:
1107:
1106:
1091:
1085:
1084:
1082:
1081:
1067:
1061:
1060:
1058:
1057:
1043:
1037:
1036:
1034:
1033:
1026:News-Medical.net
1018:
1012:
1011:
1001:
961:
955:
954:
952:
951:
936:
930:
929:
919:
894:(8): 4849–4856.
879:
873:
872:
822:
813:
807:
806:
786:
780:
779:
729:
720:
714:
713:
679:
670:
664:
663:
637:
605:
599:
598:
562:
556:
555:
522:
516:
515:
505:
487:
455:
449:
448:
411:
405:
404:
402:
401:
387:
381:
380:
378:
376:
362:
356:
355:
344:
338:
337:
306:Chemical Reviews
303:
294:
261:machine learning
39:
37:
19:
1303:
1302:
1298:
1297:
1296:
1294:
1293:
1292:
1238:
1237:
1227:
1222:
1221:
1212:
1210:
1201:
1200:
1196:
1166:
1165:
1161:
1152:
1150:
1144:"Spark of life"
1142:
1141:
1137:
1128:
1126:
1118:
1117:
1113:
1104:
1102:
1093:
1092:
1088:
1079:
1077:
1069:
1068:
1064:
1055:
1053:
1045:
1044:
1040:
1031:
1029:
1020:
1019:
1015:
963:
962:
958:
949:
947:
938:
937:
933:
881:
880:
876:
820:
815:
814:
810:
788:
787:
783:
727:
722:
721:
717:
677:
672:
671:
667:
607:
606:
602:
564:
563:
559:
545:
524:
523:
519:
457:
456:
452:
413:
412:
408:
399:
397:
389:
388:
384:
374:
372:
370:www.iufrance.fr
364:
363:
359:
346:
345:
341:
301:
296:
295:
291:
286:
278:YouTube channel
269:
198:surface hopping
187:
161:
51:Alma mater
46:
41:
35:
33:
24:
17:
12:
11:
5:
1301:
1299:
1291:
1290:
1285:
1280:
1275:
1270:
1265:
1260:
1255:
1250:
1240:
1239:
1236:
1235:
1234:research group
1226:
1225:External links
1223:
1220:
1219:
1194:
1159:
1135:
1111:
1086:
1062:
1038:
1013:
956:
931:
874:
808:
781:
715:
688:(1): 272–280.
665:
600:
557:
543:
517:
450:
406:
382:
357:
352:www.eurasc.org
339:
288:
287:
285:
282:
268:
265:
186:
183:
182:
181:
178:
175:
172:
165:
160:
157:
133:Mario Barbatti
128:
127:
124:
123:
105:
101:
100:
95:
91:
90:
84:
83:
76:
72:
71:
62:
61:Known for
58:
57:
52:
48:
47:
42:
30:
26:
25:
23:Mario Barbatti
22:
15:
13:
10:
9:
6:
4:
3:
2:
1300:
1289:
1286:
1284:
1281:
1279:
1276:
1274:
1271:
1269:
1266:
1264:
1261:
1259:
1256:
1254:
1253:Living people
1251:
1249:
1246:
1245:
1243:
1233:
1229:
1228:
1224:
1208:
1204:
1198:
1195:
1190:
1186:
1182:
1178:
1174:
1170:
1163:
1160:
1149:
1148:The Telegraph
1145:
1139:
1136:
1125:
1121:
1115:
1112:
1100:
1096:
1090:
1087:
1076:
1072:
1066:
1063:
1052:
1048:
1042:
1039:
1027:
1023:
1017:
1014:
1009:
1005:
1000:
995:
991:
987:
983:
979:
975:
971:
967:
960:
957:
945:
941:
935:
932:
927:
923:
918:
913:
909:
905:
901:
897:
893:
889:
885:
878:
875:
870:
866:
862:
858:
854:
850:
846:
842:
838:
834:
830:
826:
819:
812:
809:
804:
800:
796:
792:
785:
782:
777:
773:
769:
765:
761:
757:
753:
749:
745:
741:
737:
733:
726:
719:
716:
711:
707:
703:
699:
695:
691:
687:
683:
676:
669:
666:
661:
657:
653:
649:
645:
641:
636:
631:
627:
623:
619:
615:
611:
604:
601:
596:
592:
588:
584:
580:
576:
572:
568:
561:
558:
554:
550:
546:
540:
536:
532:
528:
521:
518:
513:
509:
504:
499:
495:
491:
486:
481:
477:
473:
469:
465:
461:
454:
451:
446:
442:
438:
434:
430:
426:
422:
418:
410:
407:
396:
392:
386:
383:
371:
367:
361:
358:
353:
349:
343:
340:
335:
331:
327:
323:
319:
315:
311:
307:
300:
293:
290:
283:
281:
279:
275:
274:group website
266:
264:
262:
258:
252:
249:
247:
242:
239:
235:
230:
228:
223:
220:
218:
213:
211:
207:
203:
199:
194:
192:
184:
179:
176:
173:
170:
166:
163:
162:
158:
156:
154:
150:
146:
142:
138:
134:
125:
122:
119:
118:
114:
109:
106:
102:
99:
96:
92:
89:
85:
81:
77:
73:
70:
66:
63:
59:
56:
53:
49:
45:
40:(age 52)
31:
27:
20:
1211:. Retrieved
1206:
1197:
1172:
1168:
1162:
1151:. Retrieved
1147:
1138:
1127:. Retrieved
1123:
1114:
1103:. Retrieved
1101:. 2013-06-25
1098:
1089:
1078:. Retrieved
1075:ScienceDaily
1074:
1065:
1054:. Retrieved
1051:ScienceDaily
1050:
1041:
1030:. Retrieved
1028:. 2009-02-23
1025:
1016:
973:
969:
959:
948:. Retrieved
946:. 2019-05-30
943:
934:
891:
887:
877:
828:
824:
811:
794:
790:
784:
735:
731:
718:
685:
681:
668:
617:
613:
603:
570:
566:
560:
526:
520:
467:
463:
453:
423:(1): 26–33.
420:
416:
409:
398:. Retrieved
394:
385:
373:. Retrieved
369:
360:
351:
342:
309:
305:
292:
270:
257:Walter Thiel
253:
250:
243:
231:
227:Walter Thiel
224:
221:
217:Hans Lischka
214:
195:
188:
132:
131:
111:
104:Institutions
87:
79:
1248:1971 births
1209:(in French)
1242:Categories
1213:2019-12-29
1153:2019-12-29
1129:2019-12-29
1105:2019-12-29
1080:2019-12-29
1056:2019-12-29
1032:2019-12-29
950:2019-12-29
400:2019-12-29
284:References
115:(current)
110:(current)
36:1971-12-28
1189:0002-7863
990:1948-7185
908:1549-9618
853:1089-5639
760:1948-7185
702:0002-7863
660:207112041
644:0002-7863
494:0027-8424
437:1759-0884
326:0009-2665
1124:phys.org
1008:30200766
944:EURAXESS
926:32579345
869:73466468
861:30786711
776:46862226
768:28903560
710:26653216
652:25010652
595:23784979
553:25381199
512:21115845
445:60777813
334:29767966
200:and the
149:Newton-X
65:Newton-X
999:6174422
917:7426902
833:Bibcode
503:3003128
472:Bibcode
272:on his
191:h-index
34: (
1187:
1006:
996:
988:
924:
914:
906:
867:
859:
851:
774:
766:
758:
708:
700:
658:
650:
642:
593:
551:
541:
510:
500:
492:
443:
435:
375:1 July
332:
324:
94:Fields
75:Awards
865:S2CID
821:(PDF)
772:S2CID
728:(PDF)
678:(PDF)
656:S2CID
441:S2CID
302:(PDF)
193:48).
1230:The
1185:ISSN
1004:PMID
986:ISSN
922:PMID
904:ISSN
857:PMID
849:ISSN
764:PMID
756:ISSN
706:PMID
698:ISSN
648:PMID
640:ISSN
591:PMID
549:PMID
539:ISBN
508:PMID
490:ISSN
433:ISSN
377:2021
330:PMID
322:ISSN
276:and
67:and
29:Born
1177:doi
1173:136
994:PMC
978:doi
912:PMC
896:doi
841:doi
829:123
799:doi
795:112
748:hdl
740:doi
690:doi
686:138
630:hdl
622:doi
618:136
583:hdl
575:doi
531:doi
498:PMC
480:doi
468:107
425:doi
314:doi
310:118
1244::
1205:.
1183:.
1171:.
1146:.
1122:.
1097:.
1073:.
1049:.
1024:.
1002:.
992:.
984:.
972:.
968:.
942:.
920:.
910:.
902:.
892:16
890:.
886:.
863:.
855:.
847:.
839:.
827:.
823:.
793:.
770:.
762:.
754:.
746:.
734:.
730:.
704:.
696:.
684:.
680:.
654:.
646:.
638:.
628:.
616:.
612:.
589:.
581:.
571:52
569:.
547:,
537:,
506:.
496:.
488:.
478:.
466:.
462:.
439:.
431:.
419:.
393:.
368:.
350:.
328:.
320:.
308:.
304:.
280:.
263:.
1216:.
1191:.
1179::
1156:.
1132:.
1108:.
1083:.
1059:.
1035:.
1010:.
980::
974:9
953:.
928:.
898::
871:.
843::
835::
805:.
801::
778:.
750::
742::
736:8
712:.
692::
662:.
632::
624::
597:.
585::
577::
533::
514:.
482::
474::
447:.
427::
421:4
403:.
379:.
354:.
336:.
316::
171:.
38:)
Text is available under the Creative Commons Attribution-ShareAlike License. Additional terms may apply.