Abstract. Two-dimensional organic–inorganic perovskites can attain lower congruent melting temperatures (Tm) through compositional design, including, for e

Save the date(Calendar Entry / Zoom Link) Watch on YouTube Watch on KouShare Join us for this webinar, consisting of an expert talk and interactive hands-on sessions, on automated data generation for ...

2026 Quantum Multiscale Hackathon, Rutgers University Inn and Conference Center — August 27 to September 1, 2026. An ACS Fall 2026 satellite event, by invitation only.

Skala 1.1, the updated deep-learning exchange-correlation functional from Microsoft Research, provides greater accuracy, expanded accessibility across the computational chemistry ecosystem, and a livi...

Geely says its solid-state EV battery hits up to 500 Wh/kg, roughly double today's best cells, with real-world testing underway and a 2027 pilot rollout.

The Tkatchenko-Scheffler (TS) pairwise method to calculate dispersion interactions is a widely used approach to incorporate missing long-range van der Waals contributions in semilocal and hybrid densi...

We present a large-scale parallel implementation of fully relativistic density functional theory (DFT) for both molecules and periodic solids, using the quasi-four-component (Q4C) method and numeric a...

Circa: Salary - Salary Plan, 80,000.00 USD Annual Join our small and very friendly team at the Royal Society of Chemistry as a Content Development Editor and become a key ambassador for our world-lead...

Theoretical chemist who came up with one of his most important ideas in a just month also mentored more than 100 young researchers

Inversion-symmetric 2D hybrid perovskite semiconductors exhibit optically excited spin lifetimes of 0.7–4.7 ns at room temperature due to intrinsic local symmetry breaking and spin-valley formation.

Roadmap on Advancements of the FHI-aims Software Package, Blum, Volker, Kokott, Sebastian, Rossi, Mariana, Scheffler, Matthias, Abbott, Joseph W. W., Mera Acosta, Carlos, Akkoush, Alaa, Ambrosetti, Alberto, Atalla, Viktor, Bagrets, Alexej, Behler, Joerg, Berger, Daniel, Bieniek, Björn, Björk, Jonas, Bohloul, Saeed, Box, Connor L., Boyer, Nicholas James, Brambila, Danilo Simoes, Bramley, Gabriel A., Bryenton, Kyle R., Camarasa-Gómez, María, Carbogno, Christian, Caruso, Fabio, Chutia, Sucismita, Ceriotti, Michele, Csányi, Gábor, Dawson, William, Delesma, Francisco A., della sala, fabio, Delley, Bernard, DiStasio, Robert, Dragoumi, Maria, Driessen, Sander, Dvorak, Marc, Erker, Simon, Evers, Ferdinand, Fabiano, Eduardo, Farrow, Matthew R., Fiebig, Florian, Filser, Jakob, Foppa, Lucas, Gallandi, Lukas, Garcia, Alberto, Gehrke, Ralf, Ghan, Simiam, Ghiringhelli, Luca, Glass, Mark, Goedecker, Stefan, Golze, Dorothea, Green, James A., Grisafi, Andrea, Grüneis, Andreas, Günzl, Johannes Jan, Gutzeit, Stefan, Hall, Samuel J., Hanke, Felix, Havu, Ville, He, Xingtao, Hekele, Joscha, Hellman, Olle, Herath, Uthpala, Hermann, Jan, Hernangómez-Pérez, Daniel, Hofmann, Oliver T, Hoja, Johannes, Hollweger, Simon, Hörmann, Lukas, Hourahine, Benjamin, How, Wei Bin, Huhn, William P., Hülsberg, Marcel, Panahian Jand, Sara, Jiang, Hongbing, Johnson, Erin, Jürgens, Werner, Kahk, Juhan Matthias, Kanai, Yosuke, Kang, Kisung, Karpov, Petr, Kempt, Roman, Khan, Danish, Kick, Matthias, Klein, Benedikt P., Kloppenburg, Jan, Knoll, Alexander, Knoop, Florian, Knuth, Franz, Köcher, Simone S., Kockläuner, Jannis, Körzdörfer, Thomas, Kowalski, Hagen-Henrik, Kratzer, Peter, Kus, Pavel, Laasner, Raul, Lang, Bruno, Lange, Björn, Langer, Marcel F, Larsen, Ask Hjorth, Lederer, Hermann

For the development of a new class of chiral semiconductors to demonstrate the controllable interconversion between charge, spin, and light at room temperature.

Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accuracy at the base, relia...

ELECTRONIC STRUCTURE THEORY WITH NUMERIC ATOM-CENTERED BASIS FUNCTIONS June 10 – June 12, 2026In-person participation at Max Planck Institut for the Structure and Dynamics of Matter (MPSD)Rooms 131+13...

ELECTRONIC STRUCTURE THEORY WITH NUMERIC ATOM-CENTERED BASIS FUNCTIONS June 10 – June 12, 2026In-person participation at Max Planck Institut for the Structure and Dynamics of Matter (MPSD)Rooms 131+13...

The Trump administration is announcing a new policy that requires foreigners in the U.S. to leave and apply for a green card from their home country.

According to the agency, eliminating the program would save North Carolina drivers nearly $20 million a year without significantly harming air quality.

2026 HybriD3 Database Webinar

The HybriD3 project accelerates the Design, Discovery and Dissemination (D3) of new crystalline organic-inorganic hybrid semiconductors in a collaborative effort between six teams of researchers locat...

FHI-aims. All-electron electronic structure theory with numeric atom-centered orbitals.

Since the discovery was first reported in 1999, researchers have uncovered many aspects of the chiral-induced spin selectivity effect, but its underlying mechanisms remain unclear.

Our mission is to transform lives and communities through education and research. Curtin employees form a unique and diverse community committed to innovative research and student learning. Find out a...