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1 . Academic Journal
Multi-reward reinforcement learning based development of inter-atomic potential models for silica
저자
by
Aditya Koneru
;
Henry Chan
;
Sukriti Manna
;
Troy D. Loeffler
;
Debdas Dhabal
, et al.
소스
npj Computational Materials, Vol 9, Iss 1, Pp 1-13 (2023)
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7 . Academic Journal
CEGANN: Crystal Edge Graph Attention Neural Network for multiscale classification of materials environment
저자
by
Suvo Banik
;
Debdas Dhabal
;
Henry Chan
;
Sukriti Manna
;
Mathew Cherukara
, et al.
소스
npj Computational Materials, Vol 9, Iss 1, Pp 1-12 (2023)
Open Access (DOAJ)
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7 . Academic Journal
AlphaFold2 models indicate that protein sequence determines both structure and dynamics
저자
by
Hao-Bo Guo
;
Alexander Perminov
;
Selemon Bekele
;
Gary Kedziora
;
Sanaz Farajollahi
, et al.
소스
Scientific Reports, Vol 12, Iss 1, Pp 1-15 (2022)
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7 . Academic Journal
How Do Surfactants Control the Agglomeration of Clathrate Hydrates?
저자
by
Pavithra M. Naullage
;
Andressa A. Bertolazzo
;
Valeria Molinero
.
소스
ACS Central Science, Vol 5, Iss 3, Pp 428-439 (2019)
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5 . Academic Journal
Multiscale Modeling of Structure, Transport and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic and Reactive Molecular Dynamics Simulations
저자
by
Dengpan Dong
;
Weiwei Zhang
;
Adam Barnett
;
Jibao Lu
;
Adri C. T. van Duin
, et al.
소스
Polymers, Vol 10, Iss 11, p 1289 (2018)
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7 . Academic Journal
Strength of Alkane–Fluid Attraction Determines the Interfacial Orientation of Liquid Alkanes and Their Crystallization through Heterogeneous or Homogeneous Mechanisms
저자
by
Yuqing Qiu
;
Valeria Molinero
.
소스
Crystals, Vol 7, Iss 3, p 86 (2017)
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4 .
HUB: a method to model and extract the distribution of ice nucleation temperatures from drop-freezing experiments
저자
by
Ingrid de Almeida Ribeiro
;
Konrad Meister
;
Valeria Molinero
.
소스
Atmospheric Chemistry and Physics
. 23:5623-5639
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5 .
Post-Hydration Crosslinking of Ion Exchange Membranes to Control Water Content
저자
by
Adam Barnett
;
John J. Karnes
;
Auston L. Clemens
;
James S. Oakdale
;
Valeria Molinero
.
소스
The Journal of Physical Chemistry C
. 127:5613-5621
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7 .
Lichen species across Alaska produce highly active and stable ice nucleators
저자
by
Rosemary J. Eufemio
;
Ingrid de Almeida Ribeiro
;
Valeria Molinero
;
Mischa Bonn
;
Todd L. Sformo
, et al.
소스
Biogeosciences Discussions
Open Access (OpenAIRE)
Scopus
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7 .
Stability and Metastability of Liquid Water in a Machine-Learned Coarse-Grained Model with Short-Range Interactions
저자
by
Debdas Dhabal
;
Subramanian K. R. S. Sankaranarayanan
;
Valeria Molinero
.
소스
The Journal of Physical Chemistry B
. 126:9881-9892
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