Michal Krompiec

I've always been fascinated by the functional and mechanistic aspects of chemistry, on the fundamental, quantum-chemical level: how materials work in devices, how molecules collide and form new structures.


I've always been fascinated by the functional and mechanistic aspects of chemistry, on the fundamental, quantum-chemical level: how materials work in devices, how molecules collide and form new structures. Currently, I approach these topics with computational chemistry and cheminformatics toolkits - as a user of quantum chemistry & data analytics software, a coder and a manager of a small team. Previously I was involved in experimental work as well: I obtained my PhD in synthetic and physical chemistry. I joined our company in 2013 as an organic chemist and molecular modeller in the Organic Photovoltaics project. Making new photovoltaic polymers was a great experience - but I wanted to understand the OPV physics closer, hence I moved to Physics team in 2016 and ran the materials testing pipeline. Making sense of large volumes of experimental data we were generating was my passion, which led me to learning data mining and machine learning techniques, as well as building database systems. Since April 2018, I am responsible for the newly created Computational Modelling function in Performance Materials, where we help design new materials and reagents by means of virtual in-silico experiments. This unique position enables me and my team to contribute creatively to a wide range of projects, ranging from explaining the inner workings of an OLED display, through training machine learning models for prediction of optoelectronic properties, to designing new reagents for semiconductor manufacturing.

I've always been fascinated by the functional and mechanistic aspects of chemistry, on the fundamental, quantum-chemical level: how materials work in devices, how molecules collide and form new structures.

Michal Krompiec

Head of Computational Modelling, Chief Technology Office, Performance Materials


Joined Merck KGaA, Darmstadt, Germany: 2013

Key research fields and topics:

  • Computational chemistry
  • Materials science

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CV & Scientific activities



  1. Saladina, M.; Deibel, C.; Krompiec, M.; Majeed, N.; Greedy, S.; MacKenzie, R.C.I., Using deep machine learning to understand the physical performance bottlenecks in novel thin-film solar cells, Advanced Functional Materials, 2020, WILEY‐VCH Verlag Weinheim
  2. Mondelli, Pierluigi ; Boschetto, Gabriele ; Horton, Peter N; Tiwana, Priti; Skylaris, Chris-Kriton ; Coles, Simon J; Krompiec, Michal; Morse, Graham; Meta-analysis: the molecular organization of non-fullerene acceptors, 2019, Royal Society of Chemistry
  3. Boschetto, G.; Krompiec, M.; Skylaris, C. K., How Does Polymorphism Affect the Interfacial Charge-Transfer States in Organic Photovoltaics?, vol. 123, no.42, pp. 25585-25595, 2019, ACS Publications
  4. Krompiec, Michal; Baxter, Sean N; Klimareva, Elena L; Yufit, Dimitrii S; Congrave, Daniel G; Britten, Thomas K; Perepichka, Igor F; 3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics, Journal of Materials Chemistry C,  vol.6,  Number: 14,  Pages: 3743-3756, 2018, Royal Society of Chemistry
  5. Ghosh, Sanjay; Alghunaim, Abdulaziz S; Al-mashhadani, Mohammed H; Krompiec, Michal P; Hallett, Megan; Perepichka, Igor F; 4, 5-Diazafluorene co-oligomers as electron-deficient light-emitting materials and selective fluorescence sensors for mercury (II) cations, Journal of Materials Chemistry C,  vol.6,  Number: 14,  Pages: 3762-3773, 2018, Royal Society of Chemistry
  6. Boschetto, Gabriele; Krompiec, Michal; Skylaris, Chris-Kriton; Insights into the Charge-Transfer Mechanism of Organic Photovoltaics: Effect of Domain Size, The Journal of Physical Chemistry C,  vol.122,  Number: 30,  Pages: 17024-17034, 2018, American Chemical Society
  7. Boschetto, Gabriele; Xue, Hong-Tao; Dziedzic, Jacek; Krompiec, Michal; Skylaris, Chris-Kriton; Effect of Polymerization Statistics on the Electronic Properties of Copolymers for Organic Photovoltaics, The Journal of Physical Chemistry C,  vol.121,  Number: 5,  Pages: 2529-2538, 2017, American Chemical Society
  8. Xue, Hong-Tao; Boschetto, Gabriele; Krompiec, Michal; Morse, Graham E; Tang, Fu-Ling; Skylaris, Chris-Kriton; Linear-scaling density functional simulations of the effect of crystallographic structure on the electronic and optical properties of fullerene solvates, Physical Chemistry Chemical Physics,  vol.19,  Number: 7,  Pages: 5617-5628, 2017, Royal Society of Chemistry
  9. Berny, Stephane; Blouin, Nicolas; Distler, Andreas; Egelhaaf, Hans‐Joachim; Krompiec, Michal; Lohr, Andreas; Lozman, Owen R; Morse, Graham E; Nanson, Lana; Pron, Agnieszka; Solar trees: first large‐scale demonstration of fully solution coated, semitransparent, flexible organic photovoltaic modules, Advanced Science,  vol.3,  Number: 5,  Pages: 1500342, 2016, 
  10. Pavelyev, Vlad G; Parashchuk, Olga D; Krompiec, Michal; Orekhova, Tatyana V; Perepichka, Igor F; van Loosdrecht, Paul HM; Paraschuk, Dmitry Yu; Pshenichnikov, Maxim S; Charge Transfer Dynamics in Donor–Acceptor Complexes between a Conjugated Polymer and Fluorene Acceptors, The Journal of Physical Chemistry C,  vol.118,  Number: 51,  Pages: 30291-30301, 2014, ACS Publications
  11. Krompiec, Stanisław; Bujak, Piotr; Malarz, Joanna; Krompiec, Michał; Skórka, Łukasz; Pluta, Tadeusz; Danikiewicz, Witold; Kania, Magdalena; Kusz, Joachim; An isomerization—1, 3-dipolar cycloaddition tandem reaction towards the synthesis of 3-aryl-4-methyl-5-O-substituted isoxazolines from O-allyl compounds, Tetrahedron,  vol.68,  Number: 30,  Pages: 6018-6031, 2012, Elsevier
  12. Sek, Danuta; Grucela-Zajac, Marzena; Krompiec, Michal; Janeczek, Henryk; Schab-Balcerzak, Ewa; New glass forming triarylamine based azomethines as a hole transport materials: Thermal, optical and electrochemical properties, Optical Materials,  vol.34,  Number: 8,  Pages: 1333-1346, 2012, North-Holland
  13. Schab-Balcerzak, Ewa; Grucela-Zajac, Marzena; Krompiec, Michal; Niestroj, Anna; Janeczek, Henryk; New low band gap compounds comprised of naphthalene diimide and imine units, Synthetic Metals,  vol.162,  Number: 43256,  Pages: 543-553, 2012, Elsevier
  14. Iwan, Agnieszka; Guimarães, Jeconias Rocha; Santos, Maria Cristina dos; Schab-Balcerzak, Ewa; Krompiec, Michal; Palewicz, Marcin; Sikora, Andrzej; Polyazomethine with vinylene and phenantridine moieties in the main chain: Synthesis, characterization, opto (electrical) properties and theoretical calculations, High Performance Polymers,  vol.24,  Number: 4,  Pages: 319-330, 2012, Sage Publications Sage UK: London, England
  15. Iwan, Agnieszka; Palewicz, Marcin; Krompiec, Michal; Grucela-Zajac, Marzena; Schab-Balcerzak, Ewa; Sikora, Andrzej; Synthesis, materials characterization and opto (electrical) properties of unsymmetrical azomethines with benzothiazole core, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,  vol.97,  Number: ,  Pages: 546-555, 2012, Elsevier
  16. Cudziło, Stanisław; Nita, Marcin; Chołuj, Artur; Szala, Mateusz; Danikiewicz, Witod; Spólnik, Grzegorz; Krompiec, Stanisław; Michalik, Sławomir; Krompiec, Michał; Świtlicka, Anna; Synthesis, Structure, and Explosive Properties of a New Trinitrate Derivative of an Unexpected Condensation Product of Nitromethane with Glyoxal, Propellants, Explosives, Pyrotechnics,  vol.37,  Number: 3,  Pages: 261-266, 2012, WILEY‐VCH Verlag Weinheim
  17. Krompiec, Michał; Krompiec, Stanisław; Grudzka, Iwona; Filapek, Michał; Skórka, Łukasz; Flak, Tomasz; Łapkowski, Mieczysław; A cross-linked conjugated metallopolymer comprised of bisaxially coordinated ruthenium tetra-t-butyl phthalocyanine connected by quaterthiophene linkers, Electrochimica Acta,  vol.56,  Number: 19,  Pages: 6824-6830, 2011, Elsevier
  18. Krompiec, M; Grudzka, I; Filapek, M; Krompiec, S; Łapkowski, M; Kania, M; Danikiewicz, W; An electrochromic diquat-quaterthiophene alternating copolymer: A polythiophene with a viologen-like moiety in the main chain, Electrochimica Acta,  vol.56,  Number: 24,  Pages: 8108-8114, 2011, Elsevier
  19. Iwan, Agnieszka; Schab-Balcerzak, Ewa; Pociecha, Damian; Krompiec, Michal; Grucela, Marzena; Bilski, Pawel; Kłosowski, Mariusz; Janeczek, Henryk; Characterization, liquid crystalline behavior, electrochemical and optoelectrical properties of new poly (azomethine) s and a poly (imide) with siloxane linkages, Optical Materials,  vol.34,  Number: 1,  Pages: 61-74, 2011, North-Holland
  20. Schab-Balcerzak, Ewa; Iwan, Agnieszka; Grucela-Zajac, Marzena; Krompiec, Michal; Podgorna, Marzena; Domanski, Marian; Siwy, Mariola; Janeczek, Henryk; Characterization, liquid crystalline behavior, optical and electrochemical study of new aliphatic–aromatic polyimide with naphthalene and perylene subunits, Synthetic Metals,  vol.161,  Number: 15-16,  Pages: 1660-1670, 2011, Elsevier
  21. Schab-Balcerzak, Ewa; Grucela-Zajac, Marzena; Krompiec, Michal; Janeczek, Henryk; Siwy, Mariola; Sek, Danuta; New naphthalene diimide-based compounds containing triarylamine units and imine linkages: thermal, optical and electrochemical properties, Synthetic Metals,  vol.161,  Number: 21-22,  Pages: 2268-2279, 2011, Elsevier
  22. Neugebauer, Dorota; Charasim, Dominik; Swinarew, Andrzej; Stolarzewicz, Andrzej; Krompiec, Michał; Janeczek, Henryk; Simokaitiene, Jurate; Gražulevičius, Juozas V; Polymethacrylates with anthryl and carbazolyl groups prepared by atom transfer radical polymerization, Polymer journal,  vol.43,  Number: 5,  Pages: 448, 2011, Nature Publishing Group
  23. Michalik, S; Małecki, JG; Kruszynski, R; Kozik, V; Kusz, J; Krompiec, M; The synthesis, molecular, crystal, and electronic structures of [ReBr2 (O)(OCH3)(PPh3) 2], Journal of Coordination Chemistry,  vol.64,  Number: 12,  Pages: 2202-2213, 2011, Taylor & Francis
  24. Schab-Balcerzak, Ewa; Iwan, Agnieszka; Krompiec, Michal; Siwy, Mariola; Tapa, Daniel; Sikora, Andrzej; Palewicz, Marcin; New thermotropic azomethine–naphthalene diimides for optoelectronic applications, Synthetic Metals,  vol.160,  Number: 19-20,  Pages: 2208-2218, 2010, Elsevier
  25. Bujak, Piotr; Krompiec, Stanisław; Malarz, Joanna; Krompiec, Michał; Filapek, Michał; Danikiewicz, Witold; Kania, Magdalena; Gębarowska, Katarzyna; Grudzka, Iwona; Synthesis of 5-aminoisoxazolines from N-allyl compounds and nitrile oxides via tandem isomerization-1, 3-dipolar cycloaddition, Tetrahedron,  vol.66,  Number: 32,  Pages: 5972-5981, 2010, Elsevier
  26. Michalik, S; Machura, B; Kruszynski, R; Kusz, J; Krompiec, M; Synthesis, spectroscopic investigation, structural characterization and DFT calculation of the complexes [ReX 2 (N 2 COPh)(4-PhPyr)(PPh 3) 2](X= Cl, Br), Polyhedron,  vol.29,  Number: 13,  Pages: 2629-2636, 2010, Elsevier
  27. Krompiec, Stanisław; Penczek, Robert; Bujak, Piotr; Kubik, Ewelina; Malarz, Joanna; Penkala, Mateusz; Krompiec, Michał; Kuźnik, Nikodem; Maciejewski, Hieronim; A new method for the synthesis of mixed orthoesters from O-allyl acetals, Tetrahedron Letters,  vol.50,  Number: 11,  Pages: 1193-1195, 2009, Elsevier
  28. Krompiec, S; Ignasiak, H; Krompiec, M; Filapek, M; Gębarowska, K; Penczek, R; Efficient Catalytic Systems for Synthesis of 5, 5''-Dibromo-2, 2': 6', 2''-terpyridine and 5, 5'-Dibromo-2, 2'-bipyridine via Coupling of Dihalogenopyridines with 5-Bromo-2-trialkylstannylpyridines, Polish Journal of Chemistry,  vol.83,  Number: 2,  Pages: 245-262, 2009, 
  29. Krompiec, S; Penczek, R; Krompiec, M; Pluta, T; Ignasiak, H; Kita, A; Michalik, S; Matlengiewicz, M; Filapek, M; Transition metals for conjugation of polyunsaturated acids and their esters, Current organic chemistry,  vol.13,  Number: 9,  Pages: 896-913, 2009, Bentham Science Publishers
  30. Krompiec, Stanisław; Penczek, Robert; Penkala, Mateusz; Krompiec, Michał; Rzepa, Józef; Matlengiewicz, Marek; Jaworska, Joanna; Baj, Stefan; A selective convenient ruthenium-mediated synthesis of mixed acetals, Journal of Molecular Catalysis A: Chemical,  vol.290,  Number: 43132,  Pages: 15-22, 2008, Elsevier
  31. Krompiec, S; Krompiec, M; Penczek, R; Ignasiak, H; Double bond migration in N-allylic systems catalyzed by transition metal complexes, Coordination Chemistry Reviews,  vol.252,  Number: 15-17,  Pages: 1819-1841, 2008, Elsevier
  32. Krompiec, Michał; Krompiec, Stanisław; Ignasiak, Hanna; Łapkowski, Mieczysław; Kuś, Piotr; Stanek, Łukasz; Penczek, Robert; Lis, Stefan; Staniński, Krzysztof; Sajewicz, Mieczysław; Synthesis and electropolymerization of 3, 5-dithienylpyridines, their complexes and N-methylpyridinium cations, Synthetic Metals,  vol.158,  Number: 21-24,  Pages: 831-838, 2008, Elsevier
  33. Krompiec, Stanisław; Krompiec, Michał; Ignasiak, Hanna; Łapkowski, Mieczysław; Baj, Stefan; Grabarczyk, Damian; New catalytic systems for coupling of dihalogenopyridines and 5, 5 ″-dibromo-2, 2′: 6′, 2 ″-terpyridine with 5-bromo-2-trialkylstannylpyridines and 2-trialkylstannylthiophenes, Catalysis Communications,  vol.8,  Number: 10,  Pages: 1457-1462, 2007, Elsevier
  34. Krompiec, S; Krompiec, M; Ignasiak, H; Lapkowski, M; Baj, S; Grabarczyk, D; New catalytic systems for coupling of dihalogenopyridines and 5, 5Prime-dibromo-2, 2prime: 6prime, 2Prime-terpyridine with 5-bromo-2-trialkylstannylpyridines and 2-trialkylstannylthiophenes, CATALYSIS COMMUNICATIONS,  vol.8,  Number: 10,  Pages: 1457-1462, 2007, Elsevier
  35. Leszczyńska-Sejda, K; Benke, G; Chmielarz, A; Krompiec, S; Michalik, S; Krompiec, M; Synthesis of perrhenic acid using ion exchange method, Hydrometallurgy,  vol.89,  Number: 43193,  Pages: 289-296, 2007, Elsevier
  36. Krompiec, S; Kuźnik, N; Krompiec, M; Penczek, R; Mrzigod, J; Tórz, A; The role of the functional group in double bond migration in allylic systems catalysed by ruthenium hydride complexes, Journal of Molecular Catalysis A: Chemical,  vol.253,  Number: 1,  Pages: 132-146, 2006, Elsevier
  37. Krompiec, Stanisław; Pigulla, Mariola; Kuźnik, Nikodem; Krompiec, Michał; Marciniec, Bogdan; Chadyniak, Dariusz; Kasperczyk, Janusz; Highly selective isomerization of N-allylamides catalyzed by ruthenium and rhodium complexes, Journal of Molecular Catalysis A: Chemical,  vol.225,  Number: 1,  Pages: 91-101, 2005, Elsevier
  38.  Krompiec, Stanislaw; Pigulla, Mariola; Krompiec, Michal; Marciniec, Bogdan; Chadyniak, Dariusz; Highly selective isomerization of N-allylamines catalyzed by ruthenium and rhodium complexes, Journal of Molecular Catalysis A: Chemical,  vol.237,  Number: 43132,  Pages: 17-25, 2005, Elsevier
  39. Krompiec, Stanisław; Pigulla, Mariola; Krompiec, Michał; Baj, Stefan; Mrowiec-Białoń, Julita; Kasperczyk, Janusz; Highly selective isomerization of N-allylamides and N-allylamines, Tetrahedron letters,  vol.45,  Number: 27,  Pages: 5257-5261, 2004, Elsevier
  40. Krompiec, Stanisław; Pigulla, Mariola; Bieg, Tadeusz; Szczepankiewicz, Wojciech; Kuźnik, Nikodem; Krompiec, Michał; Kubicki, Maciej; Isomerisation of N-allyl-N-arylethanamides catalysed by ruthenium complexes, Journal of Molecular Catalysis A: Chemical,  vol.189,  Number: 2,  Pages: 169-185, 2002, Elsevier