Pol Benítez Colominas

Publications, conferences, awards and teaching

Journal of the American Chemical Society
Band-Gap Tunability in Anharmonic Perovskite-like Semiconductors Driven by Polar Electron-Phonon Coupling.
P. Benítez, R. Jiang, S. Chen, C. Lopéz, J. Ll. Tamarit, E. Saucedo, B. Monserrat and C. Cazorla.
Small
Ribbons of Light: Emerging (Sb,Bi)(S,Se)(Br,I) Van der Waals Chalcohalides for Next-Generation Energy Applications.
I. Caño, A. Navarro-Güell, E. Maggi, A. Gon Medaille, D. Rovira, A. Jiménez-Aguijo, O. Segura, A. Torrens, M. Jiménez, C. López, P. Benítez, C. Cazorla, Z. Jehl, Y. Gong, J. M. Asensi, L. Calvo-Barrio, L. Soler, J. Llorca, J. L. Tamarit, B. Galiana, M. Dimitrievska, N. Ruiz-Marin, H. Chun, L. Wong, J. Puigdollers, M. Placidi and E. Saucedo.
ACS Energy Letters
Chalcogen vacancies rule charge recombination in pinictogen chalcohalide solar-cell absorbers.
C. López, S. R. Kavanagh, P. Benítez, E. Saucedo, A. Walsh, D. O. Scanlon and C. Cazorla.
Journal of Materials Chemistry C
Giant Thermally Induced Band-Gap Renormalization in Anharmonic Silver Chalcohalide Antiperovskites.
P. Benítez, S. Chen, R. Jiang, C. Lopéz, J. Ll. Tamarit, J. Íñiguez-González, E. Saucedo, B. Monserrat and C. Cazorla.
PRX Energy
Crystal Structure Prediction and Phase Stability in Highly Anharmonic Silver-Based Chalcohalide Antiperovskites.
P. Benítez, C. Lopéz, C. Liu, I. Caño, J. Ll. Tamarit, E. Saucedo and C. Cazorla.

Advanced Functional Materials
Machine-learning aided first-principles prediction of earth-abundant pnictogen chalcohalide solid solutions for solar-cell devices.
C. Lopéz, I. Caño, D. Rovira, P. Benítez, J. M. Asensi, Z. Jehl, J Ll. Tamarit, E. Saucedo and C. Cazorla.
Journal of Materials Chemistry C
Synthesis of semiconductor chalcohalide anti-perovskites by low-temperature molecular precursor ink deposition methodologies.
I. Caño, J. Turnley, P. Benítez, C. Lopéz, J. Asensi, D. Payno, J. Puigdollers, M. Placidi, C. Cazorla, R. Agrawal and E. Saucedo.

-"Improving Neural Network Prediction of Material Properties with Phonon-Informed Distortions". Oral presentation at 第48回ケモインフォマティクス討論会 (48th Chemoinformatics Symposium). Hiroshima, Japan. (November 2025)
-"MLIPs for Crystal Prediction and Thermodynamic Phase Diagrams". Oral presentation at From molecules to materials: 2nd workshop on benchmarking solid state properties. Bologna, Italy. (September 2025)
-"Exploring the Use of MLIPs and GNNs to Accelerate Materials Calculations". Invited oral presentation at 10th IDMRCS. Barcelona, Spain. (July 2025)
-"Thermal Effects on Optoelectronics: A Graph Neural Network Approach". Oral presentation at AI4X 2025. Singapore, Singapore. (July 2025)
-"Thermal Effects on Anharmonic Semiconductor Optoelectronics via Graph Neural Networks". Oral presentation at ICMAT 2025. Singapore, Singapore. (June 2025)
-"Phonon-Driven Band Gap Engineering in Chalcohalide Anti-Perovskites". Oral presentation at ICMAT 2025. Singapore, Singapore. (June 2025)

-"Electron-Phonon Coupling Induces Giant Band Gap Reduction in Optoelectronic Materials". Oral presentation at NEXTGEN 2024. Palma de Mallorca, Spain. (September 2024)
-"Predicting Thermal Effects on Optoelectronic Properties of Solid Solutions Using Graph Neural Networks". Oral presentation at Artificial Intelligence for Advanced Materials 2024. Barcelona, Spain. (July 2024)
-"Giant Thermal Effects in the Optoelectronic Properties of Chalcohalide Anti-Perovskite Materials". Oral presentation at EMRS Spring Meeting 2024. Strasbourg, France. (May 2024)
-"Theoretical and Experimental Characterization of Highly Anharmonic Chalcohalide Anti-Perovskites for Energy Applications". Oral presentation at 2024 MRS Spring Meeting. Seattle, USA. (April 2024)
-"Fast and Reliable Crystal Structure Prediction Using Random Search Algorithms and Machine Learning Interatomic Potentials". Oral presentation at Machine Learning Conference for X-Ray and Neutron-Based Experiments. Munich, Germany. (April 2024)

-"Novel phases and optoelectronic properties of antiperovskite chalco-halides from first-principles simulations". Oral presentation at 13th European Kesterite+ Workshop. Barcelona, Spain. (July 2023)
-"Introduction to Machine Learning for Materials Science". Pre-workshop PhD student day session at 13th European Kesterite+ Workshop. Barcelona, Spain. (July 2023)