Evidence map›Paper›PMID 41006882›Full record

ReviewCommunications chemistry2025

Deciphering the complexities of crystalline state(s) with molecular simulations.

Caroline Desgranges, Jerome Delhommelle

Abstract readReview
In one paragraph

Review in Communications chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

  1. Rapid Exploration of Mixture Adsorption via Adiabatic Sampling.The journal of physical chemistry. C, Nanomaterials and interfaces · 2026
    Article
  2. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

2 authors.

Caroline DesgrangesDepartment of Physics & Applied Physics, University of Massachusetts, Lowell, MA, USA. caroline_desgranges@uml.edu.ORCID http://orcid.org/0000-0003-4171-5750
Jerome DelhommelleDepartment of Chemistry, University of Massachusetts, Lowell, MA, USA. jerome_delhommelle@uml.edu.ORCID http://orcid.org/0000-0002-6498-6927

Funding

National Science Foundation (NSF) 2240526
6 · The paper itself

Abstract

Predicting the outcome of a crystallization process remains a long-standing challenge in solid state chemistry. This stems from the subtle interplay between thermodynamics and kinetics that results in a complex crystal energy landscape, spanned by many polymorphs and other metastable intermediates. Molecular simulations are uniquely positioned to unravel this interplay, as they constitute a framework that can compute free energies (thermodynamics), barriers (kinetics), and visualize the crystallization mechanisms at high resolution. We show here how recent progress in computational methods, and their augmentation with Machine Learning, has advanced our ability to predict crystal structure and simulate crystal nucleation.

Identifiers

PMID41006882
PMCPMC12475388

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.