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Jacobson, Leif D.
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1

Development of scalable and generalizable machine learned f..:

Mohanty, Shaswat ; Stevenson, James ; Browning, Andrea R....
Scientific Reports.  13 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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2

Accurate Quantum Chemical Reaction Energies for Lithium-Med..:

Debnath, Sibali ; Neufeld, Verena A. ; Jacobson, Leif D....
The Journal of Physical Chemistry A.  127 (2023)  44 - p. 9178-9184 , 2023
Link: https://doi.org/10.1021/..
 
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3

Transferable Neural Network Potential Energy Surfaces for C..:

Jacobson, Leif D. ; Stevenson, James M. ; Ramezanghorbani, Farhad...
Journal of Chemical Theory and Computation.  18 (2022)  4 - p. 2354-2366 , 2022
Link: https://doi.org/10.1021/..
 
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4

High-Dimensional Neural Network Potential for Liquid Electr..:

Dajnowicz, Steven ; Agarwal, Garvit ; Stevenson, James M....
The Journal of Physical Chemistry B.  126 (2022)  33 - p. 6271-6280 , 2022
Link: https://doi.org/10.1021/..
 
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5

Software for the frontiers of quantum chemistry: An overvie..:

Epifanovsky, Evgeny ; Gilbert, Andrew T. B. ; Feng, Xintian...
The Journal of Chemical Physics.  155 (2021)  8 - p. , 2021
Link: https://doi.org/10.1063/..
 
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6

Pattern-free generation and quantum mechanical scoring of r..:

Levine, Daniel S. ; Watson, Mark A. ; Jacobson, Leif D....
Journal of Computer-Aided Molecular Design.  35 (2020)  4 - p. 417-431 , 2020
Link: https://doi.org/10.1007/..
 
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7

Toward Atomistic Modeling of Irreversible Covalent Inhibito..:

Yu, Haoyu S. ; Gao, Cen ; Lupyan, Dmitry...
Journal of Chemical Information and Modeling.  59 (2019)  9 - p. 3955-3967 , 2019
Link: https://doi.org/10.1021/..
 
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8

Automated Transition State Search and Its Application to Di..:

Jacobson, Leif D. ; Bochevarov, Art D. ; Watson, Mark A....
Journal of Chemical Theory and Computation.  13 (2017)  11 - p. 5780-5797 , 2017
Link: https://doi.org/10.1021/..
 
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9

Advances in molecular quantum chemistry contained in the Q-..:

Shao, Yihan ; Gan, Zhengting ; Epifanovsky, Evgeny...
Molecular Physics.  113 (2014)  2 - p. 184-215 , 2014
Link: https://doi.org/10.1080/..
 
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10

Rapid computation of intermolecular interactions in molecul..:

Herbert, John M. ; Jacobson, Leif D. ; Un Lao, Ka.
Physical Chemistry Chemical Physics.  14 (2012)  21 - p. 7679 , 2012
Link: https://doi.org/10.1039/..
 
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11

An efficient, fragment-based electronic structure method fo..:

Jacobson, Leif D. ; Herbert, John M.
The Journal of Chemical Physics.  134 (2011)  9 - p. , 2011
Link: https://doi.org/10.1063/..
 
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12

A Simple Algorithm for Determining Orthogonal, Self-Consist..:

Jacobson, Leif D. ; Herbert, John M.
Journal of Chemical Theory and Computation.  7 (2011)  7 - p. 2085-2093 , 2011
Link: https://doi.org/10.1021/..
 
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13

Structure of the Aqueous Electron: Assessment of One-Electr..:

Herbert, John M. ; Jacobson, Leif D.
The Journal of Physical Chemistry A.  115 (2011)  50 - p. 14470-14483 , 2011
Link: https://doi.org/10.1021/..
 
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14

Comment on "Does the Hydrated Electron Occupy a Cavity?":

Jacobson, Leif D. ; Herbert, John M.
Science.  331 (2011)  6023 - p. 1387-1387 , 2011
Link: https://doi.org/10.1126/..
 
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15

Nature's most squishy ion: The important role of solvent po..:

Herbert, John M. ; Jacobson, Leif D.
International Reviews in Physical Chemistry.  30 (2011)  1 - p. 1-48 , 2011
Link: https://doi.org/10.1080/..
 
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