Cover Image

The Open Catalyst 2025 (OC25) Dataset and Models for Solid-Liquid Interfaces

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Sahoo, Sushree Jagriti, Maraschin, Mikael, Levine, Daniel S., Ulissi, Zachary, Zitnick, C. Lawrence, Varley, Joel B, Gauthier, Joseph A., Govindarajan, Nitish, Shuaibi, Muhammed
Format:	Preprint
Published:	2025
Subjects:	Materials Science Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

CatTSunami: Accelerating Transition State Energy Calculations with Pre-trained Graph Neural Networks
by: Wander, Brook, et al.
Published: (2024)

Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models
by: Barroso-Luque, Luis, et al.
Published: (2024)

Open Molecular Crystals 2025 (OMC25) Dataset and Models
by: Gharakhanyan, Vahe, et al.
Published: (2025)

UMA: A Family of Universal Models for Atoms
by: Wood, Brandon M., et al.
Published: (2025)

The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models
by: Levine, Daniel S., et al.
Published: (2025)

Fine-Tuned Language Models Generate Stable Inorganic Materials as Text
by: Gruver, Nate, et al.
Published: (2024)

Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models
by: Abed, Jehad, et al.
Published: (2024)

The Open Polymers 2026 (OPoly26) Dataset and Evaluations
by: Levine, Daniel S., et al.
Published: (2025)

The phase stability of large-size nanoparticle alloy catalysts at ab initio quality using a nearsighted force-training approach
by: Zeng, Cheng, et al.
Published: (2023)

From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction
by: Shoghi, Nima, et al.
Published: (2023)

Adapting OC20-trained EquiformerV2 Models for High-Entropy Materials
by: Clausen, Christian M., et al.
Published: (2024)

The Open DAC 2025 Dataset for Sorbent Discovery in Direct Air Capture
by: Sriram, Anuroop, et al.
Published: (2025)

Theoretical Investigation of the Adsorbate and Potential‐Induced Stability of Cu Facets During Electrochemical CO2 and CO Reduction
by: Henry Yu, et al.
Published: (2024)

Brønsted Acid Catalyzed Remote Bisvinylogous Initiated Formal [4+2] Cycloaddition Reaction of β‐Allyl Cycloalkenones With in situ Generated Ortho ‐Quinone Methides
by: Sushree Ranjan Sahoo, et al.
Published: (2026)

Axial‐to‐Point Chirality Transfer: Chromium(VI)‐Catalyzed Hydroxylative Dearomatization of 2‐Naphthols
by: Sushree Ranjan Sahoo, et al.
Published: (2025)

Incomplete Open Platonic Solids
by: Vejdemo-Johansson, Mikael
Published: (2026)

Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
by: Liao, Yi-Lun, et al.
Published: (2024)

Self-consistent convolutional density functional approximations: Application to adsorption at metal surfaces
by: Sahoo, Sushree Jagriti, et al.
Published: (2023)

Cover Feature: Self‐Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces (ChemPhysChem 10/2024)
by: Sushree Jagriti Sahoo, et al.
Published: (2024)

FastCSP: Accelerated Molecular Crystal Structure Prediction with Universal Model for Atoms
by: Gharakhanyan, Vahe, et al.
Published: (2025)

Base‐Catalyzed Decarboxylative Amination of In‐Situ Generated Ortho‐Quinone Methides: Synthesis of Benzyl Amines
by: Sushree Ranjan Sahoo, et al.
Published: (2024)

Beyond Independent Error Assumptions in Large GNN Atomistic Models
by: Ock, Janghoon, et al.
Published: (2023)

Interface‐Interactive Nanoarchitectonics: Solid and/or Liquid
by: Katsuhiko Ariga
Published: (2024)

Learning Smooth and Expressive Interatomic Potentials for Physical Property Prediction
by: Fu, Xiang, et al.
Published: (2025)

Optimized tandem catalyst patterning for CO$_2$ reduction flow reactors
by: Guo, Jack, et al.
Published: (2025)

ViVa: Video-Trained Value Functions for Guiding Online RL from Diverse Data
by: Dashora, Nitish, et al.
Published: (2025)

Determining the Dielectric Constant of Solid/Liquid Interfaces
by: Dadashi, Somaiyeh, et al.
Published: (2024)

Version 2.0.0 -- SPARC: Simulation Package for Ab-initio Real-space Calculations
by: Zhang, Boqin, et al.
Published: (2023)

A recipe for scalable attention-based MLIPs: unlocking long-range accuracy with all-to-all node attention
by: Qu, Eric, et al.
Published: (2026)

Editorial - Revista Científica: eletrônica e/ou impressa?
by: Cleci Maraschin
Published: (2007)

Editorial
by: Cleci Maraschin
Published: (2005)

Editorial
by: Cleci Maraschin
Published: (2007)

O papel do centro histórico na estrutura das cidades contemporâneas – o caso de Porto Alegre, Brasil
by: Clarice Maraschin
Published: (2014)

Cotidiano e configuração de espaços de aprendizagem
by: Cleci Maraschin
Published: (2002)

EDITORIAL
by: Cleci Maraschin
Published: (2005)

RECUPERANDO LEITURAS CRÍTICAS SOBRE A AVALIAÇÃO NA PÓSGRADUAÇÃO - DANDO CONTINUIDADE À DISCUSSÃO E AO DEBATE
by: Cleci Maraschin
Published: (2013)

Editorial
by: Cleci Maraschin
Published: (2006)

EDITORIAL
by: Cleci Maraschin
Published: (2007)

Linguajares urbanos
by: Cleci Maraschin
Published: (2005)

Editorial
by: Cleci Maraschin
Published: (2005)