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Arismendi-Arrieta, Daniel
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1

Machine learning force fields for molecular liquids: Ethyle..:

Magdău, Ioan-Bogdan ; Arismendi-Arrieta, Daniel J. ; Smith, Holly E....
npj Computational Materials.  9 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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2

H2O2(s) and H2O2·2H2O(s) crystals compared with ices: DFT f..:

Arismendi-Arrieta, Daniel J. ; Sen, Anik ; Eriksson, Anders...
The Journal of Chemical Physics.  159 (2023)  19 - p. , 2023
Link: https://doi.org/10.1063/..
 
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3

A Benchmark Protocol for DFT Approaches and Data-Driven Mod..:

Rodríguez-Segundo, Raúl ; Arismendi-Arrieta, Daniel J. ; Prosmiti, Rita
Molecules.  27 (2022)  5 - p. 1654 , 2022
Link: https://doi.org/10.3390/..
 
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4

Finite Systems under Pressure: Assessing Volume Definition ..:

Vítek, Aleš ; Arismendi-Arrieta, Daniel J. ; Šarmanová, Martina..
The Journal of Physical Chemistry A.  124 (2020)  20 - p. 4036-4047 , 2020
Link: https://doi.org/10.1021/..
 
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5

He Inclusion in Ice-like and Clathrate-like Frameworks: A B..:

Yanes-Rodríguez, Raquel ; Arismendi-Arrieta, Daniel J. ; Prosmiti, Rita
Journal of Chemical Information and Modeling.  60 (2020)  6 - p. 3043-3056 , 2020
Link: https://doi.org/10.1021/..
 
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6

Coarsening Kinetics of Complex Macromolecular Architectures..:

Paciolla, Mariarita ; Arismendi-Arrieta, Daniel J. ; Moreno, Angel J.
Polymers.  12 (2020)  3 - p. 531 , 2020
Link: https://doi.org/10.3390/..
 
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7

Deformability and solvent penetration in soft nanoparticles..:

Arismendi-Arrieta, Daniel J. ; Moreno, Angel J.
Journal of Colloid and Interface Science.  570 (2020)  - p. 212-222 , 2020
Link: https://doi.org/10.1016/..
 
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8

Assessing Intermolecular Interactions in Guest-Free Clathra..:

León-Merino, Iván ; Rodríguez-Segundo, Raúl ; Arismendi-Arrieta, Daniel J..
The Journal of Physical Chemistry A.  122 (2018)  5 - p. 1479-1487 , 2018
Link: https://doi.org/10.1021/..
 
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9

Density-functional approximations on CO2@sI clathrate hydra..:

Arismendi-Arrieta, Daniel J. ; Valdés, Álvaro ; Prosmiti, Rita
Journal of Physics: Conference Series.  875 (2017)  - p. 112015 , 2017
Link: https://doi.org/10.1088/..
 
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10

Development of transferable water-halide potentials:

Rodríguez-Segundo, Raúl ; Arismendi-Arrieta, Daniel J. ; Prosmiti, Rita
Journal of Physics: Conference Series.  875 (2017)  - p. 102023 , 2017
Link: https://doi.org/10.1088/..
 
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11

Developing time to frequency-domain descriptors for relaxat..:

Medina, Juan S. ; Arismendi-Arrieta, Daniel J. ; Alemán, Jóse V..
Journal of Molecular Liquids.  245 (2017)  - p. 62-70 , 2017
Link: https://doi.org/10.1016/..
 
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12

High Pressure Structural Transitions in Kr Clathrate-Like C..:

Arismendi-Arrieta, Daniel J. ; Vítek, Ales ; Prosmiti, Rita
The Journal of Physical Chemistry C.  120 (2016)  45 - p. 26093-26102 , 2016
Link: https://doi.org/10.1021/..
 
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13

i-TTM Model for Ab Initio-Based Ion–Water Interaction Poten..:

Arismendi-Arrieta, Daniel J. ; Riera, Marc ; Bajaj, Pushp..
The Journal of Physical Chemistry B.  120 (2015)  8 - p. 1822-1832 , 2015
Link: https://doi.org/10.1021/..
 
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14

Quantum Dynamics of Carbon Dioxide Encapsulated in the Cage..:

Valdés, Álvaro ; Arismendi-Arrieta, Daniel J. ; Prosmiti, Rita
The Journal of Physical Chemistry C.  119 (2015)  8 - p. 3945-3956 , 2015
Link: https://doi.org/10.1021/..
 
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15

Thermodynamics of Water Dimer Dissociation in the Primary H..:

Wolke, Conrad T. ; Menges, Fabian S. ; Tötsch, Niklas...
The Journal of Physical Chemistry A.  119 (2015)  10 - p. 1859-1866 , 2015
Link: https://doi.org/10.1021/..
 
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