Dr. Johannes Hachmann

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Garnet Kin-Lic ChanDivision of Chemistry and Chemical Engineering, California Institute of TechnologyVerifierad e-postadress på caltech.edu
Mojtaba HaghighatlariPfizer - UC Berkeley, SUNY BuffaloVerifierad e-postadress på pfizer.com
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Verifierad e-postadress på utoronto.ca
Roberto Olivares-AmayaVice President, Machine LearningVerifierad e-postadress på lifeminetx.com
Mohammad Atif Faiz AfzalAssociate Principal Scientist, Schrodinger Inc.Verifierad e-postadress på buffalo.edu
Sule Atahan-EvrenkTOBB University of Economics and Technology, Ankara, TurkiyeVerifierad e-postadress på etu.edu.tr
Carlos Amador-BedollaProfessor of Chemistry, Facultad de Química, Universidad Nacional Autónoma de MéxicoVerifierad e-postadress på unam.mx
Leslie Vogt-MarantoDepartment of Chemistry (Tuckerman), New York UniversityVerifierad e-postadress på nyu.edu
Roel S. Sanchez-Carrerawww.basf.comVerifierad e-postadress på gatech.edu
Debashree GhoshProfessor, Indian Association for the Cultivation of ScienceVerifierad e-postadress på iacs.res.in
Dr. Aditya SonpalPhD Candidate, University at BuffaloVerifierad e-postadress på buffalo.edu
Laszlo Ryan SeressVerifierad e-postadress på post.harvard.edu
Gaurav VishwakarmaChemical and Biological Engineering, University at BuffaloVerifierad e-postadress på buffalo.edu
Aryeh Gold-ParkerConsultant, Energy and Environmental EconomicsVerifierad e-postadress på ethree.com
Süleyman ErGroup Leader at DIFFER | Mission Innovation Champion | eScience Center FellowVerifierad e-postadress på differ.nl
Anatoliy SokolovStanford, University of IowaVerifierad e-postadress på dow.com
Adrian JinichWeill Cornell MedicineVerifierad e-postadress på med.cornell.edu
Zhenan BaoStanford UniversityVerifierad e-postadress på stanford.edu
Chong ChengUniversity at BuffaloVerifierad e-postadress på buffalo.edu
Steven A. LopezAssistant Professor Northeastern UniversityVerifierad e-postadress på northeastern.edu

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Dr. Johannes Hachmann

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

Verifierad e-postadress på buffalo.edu - Startsida

quantum chemistry computational chemistry big data materials informatics machine learning


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras 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	612	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	476	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	346	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	239	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	227	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	198	2011
The Harvard Organic Photovoltaic Dataset SA Lopez, EO Pyzer-Knapp, GN Simm, T Lutzow, K Li, LR Seress, ... Scientific Data 3, 160086, 2016	90	2016
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	90	2008
Advances of machine learning in molecular modeling and simulation M Haghighatlari, J Hachmann Current Opinion in Chemical Engineering 23, 51-57, 2019	87	2019
Targeted excited state algorithms JJ Dorando, J Hachmann, GKL Chan The Journal of Chemical Physics 127 (8), 084109, 2007	76	2007
Analytic response theory for the density matrix renormalization group JJ Dorando, J Hachmann, GKL Chan The Journal of Chemical Physics 130 (18), 184111, 2009	66	2009
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	57	2020
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	44	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	42	2018
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	41	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
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	30	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	30	2019
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	29	2021
Organic photovoltaics C Amador-Bedolla, R Olivares-Amaya, J Hachmann, A Aspuru-Guzik Informatics for Materials Science and Engineering: Data-driven Discovery for …, 2013	18	2013

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