Dr. Johannes Hachmann

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Garnet Kin-Lic ChanDivision of Chemistry and Chemical Engineering, California Institute of TechnologyVerifisert e-postadresse på caltech.edu
Mojtaba HaghighatlariPfizer - UC Berkeley, SUNY BuffaloVerifisert e-postadresse på pfizer.com
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Verifisert e-postadresse på utoronto.ca
Roberto Olivares-AmayaVice President, Machine LearningVerifisert e-postadresse på lifeminetx.com
Mohammad Atif Faiz AfzalPrincipal Scientist, Schrodinger Inc.Verifisert e-postadresse på buffalo.edu
Sule Atahan-EvrenkTOBB University of Economics and Technology, Ankara, TurkiyeVerifisert e-postadresse på etu.edu.tr
Carlos Amador-BedollaProfessor of Chemistry, Facultad de Química, Universidad Nacional Autónoma de MéxicoVerifisert e-postadresse på unam.mx
Leslie Vogt-MarantoDepartment of Chemistry (Tuckerman), New York UniversityVerifisert e-postadresse på nyu.edu
Roel S. Sanchez-Carrerawww.basf.comVerifisert e-postadresse på gatech.edu
Gaurav VishwakarmaChemical and Biological Engineering, University at BuffaloVerifisert e-postadresse på buffalo.edu
Debashree GhoshProfessor, Indian Association for the Cultivation of ScienceVerifisert e-postadresse på iacs.res.in
Laszlo Ryan SeressVerifisert e-postadresse på post.harvard.edu
Aryeh Gold-ParkerConsultant, Energy and Environmental EconomicsVerifisert e-postadresse på ethree.com
Süleyman ErDIFFERVerifisert e-postadresse på differ.nl
Anatoliy SokolovStanford, University of IowaVerifisert e-postadresse på dow.com
Adrian JinichUniversity of California, San DiegoVerifisert e-postadresse på health.ucsd.edu
Zhenan BaoStanford UniversityVerifisert e-postadresse på stanford.edu
Chong ChengUniversity at BuffaloVerifisert e-postadresse på buffalo.edu
Steven A. LopezAssociate Professor Northeastern UniversityVerifisert e-postadresse på northeastern.edu
Edward O. Pyzer-KnappChief Scientific Officer | Editor in Chief, Applied AI LettersVerifisert e-postadresse på xyme.ai

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Dr. Johannes Hachmann

Associate Professor in the Department of Chemical and Biological Engineering, University at Buffalo

Verifisert e-postadresse på buffalo.edu - Startside

quantum chemistry computational chemistry big data materials informatics machine learning


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
The Harvard Clean Energy Project: Large-scale computational screening and design of organic photovoltaics on the World Community Grid J Hachmann, R Olivares-Amaya, S Atahan-Evrenk, C Amador-Bedolla, ... The Journal of Physical Chemistry Letters 2 (17), 2241-2251, 2011	753	2011
The radical character of the acenes: A density matrix renormalization group study J Hachmann, JJ Dorando, M Avilés, GKL Chan The Journal of Chemical Physics 127 (13), 134309, 2007	532	2007
Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene D Ghosh, J Hachmann, T Yanai, GKL Chan The Journal of Chemical Physics 128 (14), 144117, 2008	399	2008
Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry–the Harvard Clean Energy Project J Hachmann, R Olivares-Amaya, A Jinich, AL Appleton, ... Energy & Environmental Science 7 (2), 698-704, 2014	294	2014
Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group J Hachmann, W Cardoen, GKL Chan The Journal of Chemical Physics 125 (14), 144101, 2006	250	2006
Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics R Olivares-Amaya, C Amador-Bedolla, J Hachmann, S Atahan-Evrenk, ... Energy & Environmental Science 4 (12), 4849-4861, 2011	223	2011
The Harvard Organic Photovoltaic Dataset SA Lopez, EO Pyzer-Knapp, GN Simm, T Lutzow, K Li, LR Seress, ... Scientific Data 3, 160086, 2016	140	2016
Advances of machine learning in molecular modeling and simulation M Haghighatlari, J Hachmann Current Opinion in Chemical Engineering 23, 51-57, 2019	134	2019
An introduction to the density matrix renormalization group ansatz in quantum chemistry GKL Chan, JJ Dorando, D Ghosh, J Hachmann, E Neuscamman, H Wang, ... Frontiers in Quantum Systems in Chemistry and Physics, 49-65, 2008	101	2008
Targeted excited state algorithms JJ Dorando, J Hachmann, GKL Chan The Journal of Chemical Physics 127 (8), 084109, 2007	88	2007
ChemML: A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data M Haghighatlari, G Vishwakarma, D Altarawy, R Subramanian, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (4), e1458, 2020	87	2020
Metrics for Benchmarking and Uncertainty Quantification: Quality, Applicability, and a Path to Best Practices for Machine Learning in Chemistry G Vishwakarma, A Sonpal, J Hachmann Trends in Chemistry 3, 146-156, 2021	83	2021
Analytic response theory for the density matrix renormalization group JJ Dorando, J Hachmann, GKL Chan The Journal of Chemical Physics 130 (18), 184111, 2009	70	2009
Accelerated discovery of high-refractive-index polyimides via first-principles molecular modeling, virtual high-throughput screening, and data mining MAF Afzal, M Haghighatlari, SP Ganesh, C Cheng, J Hachmann The Journal of Physical Chemistry C 123, 14610-14618, 2019	60	2019
Combining first-principles and data modeling for the accurate prediction of the refractive index of organic polymers MAF Afzal, C Cheng, J Hachmann The Journal of Chemical Physics 148 (24), 241712, 2018	59	2018
Building and deploying a cyberinfrastructure for the data-driven design of chemical systems and the exploration of chemical space J Hachmann, MAF Afzal, M Haghighatlari, Y Pal Molecular Simulation 44 (11), 921-929, 2018	50	2018
A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules MAF Afzal, A Sonpal, M Haghighatlari, AJ Schultz, J Hachmann Chemical Science 10, 8374-8383, 2019	46	2019
Benchmarking DFT approaches for the calculation of polarizability inputs for refractive index predictions in organic polymers MAF Afzal, J Hachmann Physical Chemistry Chemical Physics 21, 4452-4460, 2019	44	2019
The nodes of Hartree–Fock wavefunctions and their orbitals J Hachmann, PTA Galek, T Yanai, GKL Chan, NC Handy Chemical Physics Letters 392 (1-3), 55-61, 2004	33	2004
Organic photovoltaics C Amador-Bedolla, R Olivares-Amaya, J Hachmann, A Aspuru-Guzik Informatics for Materials Science and Engineering: Data-driven Discovery for …, 2013	26	2013

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