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Cruzeiro, Vinícius Wilian D.
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1

TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM..:

Cruzeiro, Vinícius Wilian D. ; Wang, Yuanheng ; Pieri, Elisa..
The Journal of Chemical Physics.  158 (2023)  4 - p. , 2023
Link: https://doi.org/10.1063/..
 
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2

AmberTools:

Case, David A. ; Aktulga, Hasan Metin ; Belfon, Kellon...
Journal of Chemical Information and Modeling.  63 (2023)  20 - p. 6183-6191 , 2023
Link: https://doi.org/10.1021/..
 
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3

Uptake of N2O5 by aqueous aerosol unveiled using chemically..:

Cruzeiro, Vinícius Wilian D. ; Galib, Mirza ; Limmer, David T..
Nature Communications.  13 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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4

Harnessing the Power of Multi-GPU Acceleration into the Qua..:

Manathunga, Madushanka ; Jin, Chi ; Cruzeiro, Vinícius Wilian D....
Journal of Chemical Theory and Computation.  17 (2021)  7 - p. 3955-3966 , 2021
Link: https://doi.org/10.1021/..
 
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5

Highly Accurate Many-Body Potentials for Simulations of N2O..:

Cruzeiro, Vinícius Wilian D. ; Lambros, Eleftherios ; Riera, Marc...
Journal of Chemical Theory and Computation.  17 (2021)  7 - p. 3931-3945 , 2021
Link: https://doi.org/10.1021/..
 
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6

Open-Source Multi-GPU-Accelerated QM/MM Simulations with AM..:

Cruzeiro, Vinícius Wilian D. ; Manathunga, Madushanka ; Merz Jr., Kenneth M..
Journal of Chemical Information and Modeling.  61 (2021)  5 - p. 2109-2115 , 2021
Link: https://doi.org/10.1021/..
 
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7

Data for molecular dynamics simulations of Escherichia coli..:

Ahn, Surl-Hee ; Seitz, Christian ; Cruzeiro, Vinícius Wilian D...
Data in Brief.  38 (2021)  - p. 107401 , 2021
Link: https://doi.org/10.1016/..
 
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8

Relationship between Hydrogen-Bonding Motifs and the 1b1 Sp..:

Cruzeiro, Vinícius Wilian D. ; Wildman, Andrew ; Li, Xiaosong.
The Journal of Physical Chemistry Letters.  12 (2021)  16 - p. 3996-4002 , 2021
Link: https://doi.org/10.1021/..
 
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9

The density-of-States and equilibrium charge dynamics of re..:

Bueno, Paulo Roberto ; Cruzeiro, Vinícius Wilian D. ; Roitberg, Adrian E..
Electrochimica Acta.  387 (2021)  - p. 138410 , 2021
Link: https://doi.org/10.1016/..
 
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10

Exploring Coupled Redox and pH Processes with a Force-Field..:

Cruzeiro, Vinícius Wilian D. ; Feliciano, Gustavo Troiano ; Roitberg, Adrian E.
Journal of the American Chemical Society.  142 (2020)  8 - p. 3823-3835 , 2020
Link: https://doi.org/10.1021/..
 
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11

Multidimensional Replica Exchange Simulations for Efficient..:

Cruzeiro, Vinícius Wilian D. ; Roitberg, Adrian E.
Journal of Chemical Theory and Computation.  15 (2019)  2 - p. 871-881 , 2019
Link: https://doi.org/10.1021/..
 
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12

Cation-dependent conformations in 25-hydroxyvitamin D3-cati..:

Chouinard, Christopher D. ; Cruzeiro, Vinícius Wilian D. ; Kemperman, Robin H.J....
International Journal of Mass Spectrometry.  432 (2018)  - p. 1-8 , 2018
Link: https://doi.org/10.1016/..
 
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13

Probing the Structures of Solvent-Complexed Ions Formed in ..:

Bell, Matthew R. ; Cruzeiro, Vinícius Wilian D. ; Cismesia, Adam P....
The Journal of Physical Chemistry A.  122 (2018)  37 - p. 7427-7436 , 2018
Link: https://doi.org/10.1021/..
 
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14

Redox potential replica exchange molecular dynamics at cons..:

Cruzeiro, Vinícius Wilian D. ; Amaral, Marcos S. ; Roitberg, Adrian E.
The Journal of Chemical Physics.  149 (2018)  7 - p. , 2018
Link: https://doi.org/10.1063/..
 
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15

Investigating Differences in Gas-Phase Conformations of 25-..:

Chouinard, Christopher D. ; Cruzeiro, Vinícius Wilian D. ; Beekman, Christopher R...
Journal of the American Society for Mass Spectrometry.  28 (2017)  8 - p. 1497-1505 , 2017
Link: https://doi.org/10.1007/..
 
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