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Gavartin, Jacob L.
18  results:
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1

Complexation Mechanisms of Aqueous Amylose: Molecular Dynam..:

Skrdla, Peter J. ; Coscia, Benjamin J. ; Gavartin, Jacob...
Molecular Pharmaceutics.  21 (2024)  7 - p. 3540-3552 , 2024
Link: https://doi.org/10.1021/..
 
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2

Robust and effective ab initio molecular dynamics simulatio..:

Fonari, Alexandr ; Agarwal, Garvit ; Tiwari, Subodh C....
Computational Materials Science.  244 (2024)  - p. 113188 , 2024
Link: https://doi.org/10.1016/..
 
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3

Drug Aggregation of Sparingly-Soluble Ionizable Drugs: Mole..:

Skrdla, Peter J. ; Coscia, Benjamin J. ; Gavartin, Jacob..
Molecular Pharmaceutics.  20 (2023)  10 - p. 5135-5147 , 2023
Link: https://doi.org/10.1021/..
 
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4

Exploring fuel cell cathode materials using ab initio high ..:

Sarwar, Misbah ; Gavartin, Jacob L. ; Martinez Bonastre, Alex...
Physical Chemistry Chemical Physics.  22 (2020)  10 - p. 5902-5914 , 2020
Link: https://doi.org/10.1039/..
 
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5

High-Throughput Molecular Dynamics Simulations and Validati..:

Afzal, Mohammad Atif Faiz ; Browning, Andrea R. ; Goldberg, Alexander...
ACS Applied Polymer Materials.  3 (2020)  2 - p. 620-630 , 2020
Link: https://doi.org/10.1021/..
 
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6

Quantum Mechanical Simulation for the Analysis, Optimizatio..:

Mustard, Thomas Jeffrey Lomax ; Kwak, Hyunwook Shaun ; Goldberg, Alexander...
Journal of the Korean Ceramic Society.  53 (2016)  3 - p. 317-324 , 2016
Link: https://doi.org/10.4191/..
 
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7

Discovery of New Anode SEI Forming Additives Using an in si..:

Murdock, Stuart E. ; Hughes, Thomas F. ; Kwak, Shaun H....
ECS Transactions.  69 (2015)  1 - p. 67-74 , 2015
Link: https://doi.org/10.1149/..
 
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8

Structural, electronic and vibrational properties of tetrag..:

Milman, Victor ; Perlov, Alexander ; Refson, Keith...
Journal of Physics: Condensed Matter.  21 (2009)  48 - p. 485404 , 2009
Link: https://doi.org/10.1088/..
 
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9

Exploring Fuel Cell Cathode Materials: A High Throughput Ca..:

Gavartin, Jacob ; Sarwar, Misbah ; Papageorgopoulos, Dimitrios...
ECS Transactions.  25 (2009)  1 - p. 1335-1344 , 2009
Link: https://doi.org/10.1149/..
 
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10

The vulnerable nanoscale dielectric:

Stoneham, Marshall ; Gavartin, Jacob ; Muñoz Ramo, David.
physica status solidi (a).  204 (2007)  3 - p. 653-662 , 2007
Link: https://doi.org/10.1002/..
 
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11

Polaron-like Charge Trapping in Oxygen Deficient and Disord..:

Gavartin, Jacob L. ; Munoz Ramo, David ; Shluger, Alexander.
ECS Transactions.  3 (2006)  3 - p. 277-290 , 2006
Link: https://doi.org/10.1149/..
 
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12

Simulation of coherent control of hydroxyl formed due to HC..:

Markmann, Andreas ; Gavartin, Jacob L. ; Shluger, Alexander L.
Chemical Physics.  330 (2006)  1-2 - p. 253-264 , 2006
Link: https://doi.org/10.1016/..
 
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13

Electronic Properties of Structural Defects at the MgO (001..:

Sushko, Peter V. ; Gavartin, Jacob L. ; Shluger, Alexander L.
The Journal of Physical Chemistry B.  106 (2002)  9 - p. 2269-2276 , 2002
Link: https://doi.org/10.1021/..
 
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14

Periodic density functional plane wave calculations of trip..:

Gavartin, Jacob L. ; Shluger, Alexander L.
Radiation Effects and Defects in Solids.  155 (2001)  1-4 - p. 311-315 , 2001
Link: https://doi.org/10.1080/..
 
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15

Effects of zero-point phonons and atomic correlations on th..:

Gavartin, Jacob L
Journal of Physics: Condensed Matter.  13 (2001)  48 - p. 10873-10887 , 2001
Link: https://doi.org/10.1088/..
 
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