UB - University at Buffalo, The State University of New York Chemical and Biological Engineering

Johannes Hachmann

Assistant Professor

612 Furnas Hall

Office: (716) 645-1524
Fax: (716) 645-3822
hachmann@buffalo.edu

Short bio Research Publications Group

Book Chapters

  • G.K.-L. Chan, J.J. Dorando, D. Ghosh, J. Hachmann, E. Neuscamman, H. Wang, T. Yanai, An introduction to the density matrix renormalization group ansatz in quantum chemistry, Prog. Theor. Chem. Phys. 18 (2008), 49-65.
  • C. Amador-Bedolla, R. Olivares-Amaya, J. Hachmann, A. Aspuru-Guzik, Towards materials informatics for organic photovoltaics, in Informatics for Materials Science and Engineering, K. Rajan, Ed., Elsevier, Amsterdam (2013).

Refereed Journal Publications

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  • S. A. Lopez, E. O. Pyzer-knapp, G. N. Simm, T. Lutzow, K. W. Li, L. R. Seress, J. Hachmann, A. Aspuru-guzik, “The Harvard organic photovoltaic dataset”, Sci. Data 3, UNSP 160086 (2016). link
  • J. Hachmann, R. Olivares-Amaya, A. Jinich, A. L. Appleton, M. A. Blood-Forsythe, L. R. Seress, C. Roman-Salgado, K. Trepte, S. Atahan-Evrenk, S. Er, S. Shrestha, R. Mondal, A. Sokolov, Z. A. Bao, A. Aspuru-Guzik, “Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry - the Harvard Clean Energy Project”, Energy Environ. Sci. 7, 698-704 (2014). link
  • J. Hachmann, R. Olivares-Amaya, S. Atahan-Evrenk, C. Amador-Bedolla, R. S. Sánchez-Carrera, A. Gold-Parker, L. Vogt, A. M. Brockway, A. Aspuru-Guzik, “The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid”, J. Phys. Chem. Lett. 2, 2241-2251 (2011). link
  • R. Olivares-Amaya, C. Amador-Bedolla, J. Hachmann, S. Atahan-Evrenk, R. S. Sánchez-Carrera, L. Vogt, A. Aspuru-Guzik, “Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics”, Energy Environ. Sci. 4, 4849-4861 (2011). link
  • J. Hachmann, B. A. Frazier, P. T. Wolczanski, G. K.-L. Chan, “A Theoretical Study of the 3d-M(smif)₂ Complexes: Structure, Magnetism, and Oxidation States”, ChemPhysChem 12, 3236-3244 (2011). link
  • J. J. Dorando, J. Hachmann, G. K.-L. Chan, “Analytic response theory for the density matrix renormalization group”, J. Chem. Phys. 130, 184111 (2009). link
  • D. Ghosh, J. Hachmann, T. Yanai, G. K.-L. Chan, “Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene”, J. Chem. Phys. 128, 144117 (2008). link
  • J. J. Dorando, J. Hachmann, G. K.-L. Chan, “Targeted excited state algorithms”, J. Chem. Phys. 127, 084109 (2007). link
  • J. Hachmann, J. J. Dorando, M. Avilés, G. K.-L. Chan, “The radical character of the acenes: A density matrix renormalization group study”, J. Chem. Phys. 127, 134309 (2007). link
  • J. Hachmann, W. Cardoen, G. K.-L. Chan, “Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group”, J. Chem. Phys. 125, 144101 (2006). link
  • J. Hachmann, P. T. A. Galek, T. Yanai, G. K.-L. Chan, N. C. Handy, “The nodes of Hartree-Fock wavefunctions and their orbitals”, Chem. Phys. Lett. 392, 55-61 (2004). link