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Engel, Edgar A.
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1

Phonon-Induced Localization of Excitons in Molecular Crysta..:

Alvertis, Antonios M. ; Haber, Jonah B. ; Engel, Edgar A...
Physical Review Letters.  130 (2023)  8 - p. , 2023
Link: https://doi.org/10.1103/..
 
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2

A data-driven interpretation of the stability of organic mo..:

Cersonsky, Rose K. ; Pakhnova, Maria ; Engel, Edgar A..
Chemical Science.  14 (2023)  5 - p. 1272-1285 , 2023
Link: https://doi.org/10.1039/..
 
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3

Local Kernel Regression and Neural Network Approaches to th..:

Fabregat, Raimon ; Fabrizio, Alberto ; Engel, Edgar A....
Journal of Chemical Theory and Computation.  18 (2022)  3 - p. 1467-1479 , 2022
Link: https://doi.org/10.1021/..
 
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4

A Machine Learning Model of Chemical Shifts for Chemically ..:

Cordova, Manuel ; Engel, Edgar A. ; Stefaniuk, Artur...
The Journal of Physical Chemistry C.  126 (2022)  39 - p. 16710-16720 , 2022
Link: https://doi.org/10.1021/..
 
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5

A complete description of thermodynamic stabilities of mole..:

Kapil, Venkat ; Engel, Edgar A.
Proceedings of the National Academy of Sciences.  119 (2022)  6 - p. , 2022
Link: https://doi.org/10.1073/..
 
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6

"Corona-Partys" und die Unverletzlichkeit der Wohnung - die..:

, In: Deutsches Verwaltungsblatt / Hrsg. Kurt Blaum [u.a.]
Suslin, Alexander ; Engel, Edgar. (2021)  6 - p. 367-373
Copies:  Juridicum: z jur 180/650; Juridicum: z jur 180/650
 
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7

Improving sample and feature selection with principal covar..:

Cersonsky, Rose K ; Helfrecht, Benjamin A ; Engel, Edgar A..
Machine Learning: Science and Technology.  2 (2021)  3 - p. 035038 , 2021
Link: https://doi.org/10.1088/..
 
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8

Uncertainty estimation for molecular dynamics and sampling:

Imbalzano, Giulio ; Zhuang, Yongbin ; Kapil, Venkat...
The Journal of Chemical Physics.  154 (2021)  7 - p. , 2021
Link: https://doi.org/10.1063/..
 
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9

Importance of Nuclear Quantum Effects for NMR Crystallograp..:

Engel, Edgar A. ; Kapil, Venkat ; Ceriotti, Michele
The Journal of Physical Chemistry Letters.  12 (2021)  32 - p. 7701-7707 , 2021
Link: https://doi.org/10.1021/..
 
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10

Identification of synthesisable crystalline phases of water..:

Engel, Edgar A.
CrystEngComm.  23 (2021)  2 - p. 252-263 , 2021
Link: https://doi.org/10.1039/..
 
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11

Liquid water contains the building blocks of diverse ice ph..:

Monserrat, Bartomeu ; Brandenburg, Jan Gerit ; Engel, Edgar A..
Nature Communications.  11 (2020)  1 - p. , 2020
Link: https://doi.org/10.1038/..
 
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12

Ab initio thermodynamics of liquid and solid water:

Cheng, Bingqing ; Engel, Edgar A. ; Behler, Jörg..
Proceedings of the National Academy of Sciences of the United States of America.  116 (2019)  4 - p. 1110-1115 , 2019
Link: https://www.jstor.org/st..
 
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13

Ab initio thermodynamics of liquid and solid water:

Cheng, Bingqing ; Engel, Edgar A. ; Behler, Jörg..
Proceedings of the National Academy of Sciences.  116 (2019)  4 - p. 1110-1115 , 2019
Link: https://doi.org/10.1073/..
 
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14

Assessment of Approximate Methods for Anharmonic Free Energ..:

Kapil, Venkat ; Engel, Edgar ; Rossi, Mariana.
Journal of Chemical Theory and Computation.  15 (2019)  11 - p. 5845-5857 , 2019
Link: https://doi.org/10.1021/..
 
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15

A Bayesian approach to NMR crystal structure determination:

Engel, Edgar A. ; Anelli, Andrea ; Hofstetter, Albert...
Physical Chemistry Chemical Physics.  21 (2019)  42 - p. 23385-23400 , 2019
Link: https://doi.org/10.1039/..
 
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