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Physical Chemistry Chemical Physics : PCCP
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March 21, 2019
Thermodynamics and the potential energy landscape: case study of small water clusters
Jordan Dorrell, Livia B Pártay
The Journal of Physical Chemistry. B
|
June 17, 2020
Pressure-Temperature Phase Diagram of Lithium, Predicted by Embedded Atom Model Potentials
Jordan Dorrell, Livia B Pártay
Soft Matter
|
July 5, 2022
Stability of the high-density Jagla liquid in 2D: sensitivity to parameterisation
Livia B Pártay, György Hantal
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2024
Surface phase diagrams from nested sampling
Mingrui Yang, Livia B Pártay, Robert B Wexler
Physical Review Letters
|
July 16, 2021
Insight into Liquid Polymorphism from the Complex Phase Behavior of a Simple Model
Albert P Bartók, György Hantal, Livia B Pártay
Physical Review. E
|
May 16, 2026
Revisiting the phase diagram of hard-sphere dumbbells with nested sampling: Known phases and alternative packing variants
Omar-Farouk Adesida, David Quigley, Livia B Pártay
Npj Computational Materials
|
June 12, 2023
Not yet defect-free: the current landscape for women in computational materials research
Livia B Pártay, Erin G Teich, Rose K Cersonsky
Npj Computational Materials
|
January 22, 2026
Autonomous thermodynamically informed database generation for machine-learned interatomic potentials and application to magnesium
Vincent G Fletcher, Albert P Bartók, Livia B Pártay
The Journal of Chemical Physics
|
April 8, 2023
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles
Jan Kloppenburg, Livia B Pártay, Hannes Jónsson, et al.
The Journal of Chemical Physics
|
November 3, 2025
Adsorbate phase transitions on nanoclusters from nested sampling
Thanawitch Chatbipho, Ray Yang, Robert B Wexler, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
March 21, 2019
Thermodynamics and the potential energy landscape: case study of small water clusters
Jordan Dorrell, Livia B Pártay
The Journal of Physical Chemistry. B
|
June 17, 2020
Pressure-Temperature Phase Diagram of Lithium, Predicted by Embedded Atom Model Potentials
Jordan Dorrell, Livia B Pártay
Soft Matter
|
July 5, 2022
Stability of the high-density Jagla liquid in 2D: sensitivity to parameterisation
Livia B Pártay, György Hantal
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2024
Surface phase diagrams from nested sampling
Mingrui Yang, Livia B Pártay, Robert B Wexler
Physical Review Letters
|
July 16, 2021
Insight into Liquid Polymorphism from the Complex Phase Behavior of a Simple Model
Albert P Bartók, György Hantal, Livia B Pártay
Physical Review. E
|
May 16, 2026
Revisiting the phase diagram of hard-sphere dumbbells with nested sampling: Known phases and alternative packing variants
Omar-Farouk Adesida, David Quigley, Livia B Pártay
Npj Computational Materials
|
June 12, 2023
Not yet defect-free: the current landscape for women in computational materials research
Livia B Pártay, Erin G Teich, Rose K Cersonsky
Npj Computational Materials
|
January 22, 2026
Autonomous thermodynamically informed database generation for machine-learned interatomic potentials and application to magnesium
Vincent G Fletcher, Albert P Bartók, Livia B Pártay
The Journal of Chemical Physics
|
April 8, 2023
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles
Jan Kloppenburg, Livia B Pártay, Hannes Jónsson, et al.
The Journal of Chemical Physics
|
November 3, 2025
Adsorbate phase transitions on nanoclusters from nested sampling
Thanawitch Chatbipho, Ray Yang, Robert B Wexler, et al.
Page
of 1