Rachel Crespo Otero

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Associate Professor

University College London

United Kingdom

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About

Dr. Rachel Crespo Otero is an Associate Professor at University College London, UK. Her research areas encompass excited states in covalently connected crystals, molecular engineering for CO2 reduction, and advances in machine learning applications in molecular dynamics. She has contributed significantly to the field through various publications, including studies on dual emission in crystals and the synthesis of nanoporous graphene.

Recent Grants

Grant: Close

Understanding the effect of aggregation in light-emitting organic crystals

Open Date: 2020-01-01

Close Date: 2023-09-01

Grant: Close

Towards the Computational Design of Highly Emissive Organic-Single Crystals

Open Date: 2018-07-31

Close Date: 2020-07-30

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2022

Collaborators (18)

Mario Barbatti

Professor

Aix-Marseille University

FRANCE

Rachel Crespo Otero

Research Interests

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About

Recent Grants

Articles (20)

Machine learning for nonadiabatic molecular dynamics: best practices and recent progress

Machine learning photodynamics decode multiple singlet fission channels in pentacene crystal

Describing Excited States of Covalently Connected Crystals with Cluster and Embedded Cluster Approaches: Challenges and Solutions

Carbazole Engineering in D–A–D Molecules to Improve the NIR-II Performance for Tumor Micrometastasis Imaging

Designing molecular and two-dimensional metalloporphyrin catalysts for the electrochemical CO2 reduction reaction

Origins of crystallisation-induced dual emission of terephthalic and isophthalic acid crystals

A thermodynamically favorable route to the synthesis of nanoporous graphene templated on CaO via chemical vapor deposition

Unveiling Carbon Cluster Coating in Graphene CVD on MgO: Combining Machine Learning Force field and DFT Modeling

Molecular engineering binuclear copper catalysts for selective CO2 reduction to C2 products

Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions

Single-Atom Iridium on Hematite Photoanodes for Solar Water Splitting: Catalyst or Spectator?

Multiconfigurational Calculations and Photodynamics Describe Norbornadiene Photochemistry

Triplet Generation Dynamics in Si- and Ge-Bridged Conjugated Copolymers

Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles

Asymmetric Dual‐State Emitters Featuring Thiazole Acceptors

Cover Feature: Asymmetric Dual‐State Emitters Featuring Thiazole Acceptors (Eur. J. Org. Chem. 35/2022)

Emission Quenching in Tetraphenylfuran Crystal: Why This Propeller-Shaped Molecule Does Not Emit in the Condensed Phase

Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole

Porous nanographene formation on γ-alumina nanoparticles via transition-metal-free methane activation

The carbon chain growth during the onset of CVD graphene formation on γ-Al2O3 is promoted by unsaturated CH2 ends

Collaborators (18)

Mario Barbatti

Benedetta Mennucci

Jiri Pittner

Devis Di Tommaso

Giovanni Granucci

SAIKAT MUKHERJEE

Takeharu Yoshii

Eduarda Sangiogo Gil

Takashi Kyotani

Masanori Yamamoto

Stoichko Dimitrov

Ljiljana Stojanovic

Steven Lopez

Federico Javier Hernández

Graham Worth

Carolin Müller

Ana Jorge Sobrido

Fábris Kossoski

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