Results 191 to 200 of about 1,793,191 (286)

Toward Capacitive In‐Memory‐Computing: A Device to Systems Level Perspective on the Future of Artificial Intelligence Hardware

Advanced Intelligent Discovery, EarlyView.
Capacitive, charge‐domain compute‐in‐memory (CIM) stores weights as capacitance,eliminating DC sneak paths and IR‐drop, yielding near‐zero standbypower. In this perspective, we present a device to systems level performance analysis of most promising architectures and predict apathway for upscaling capacitive CIM for sustainable edge computing ...
Kapil Bhardwaj, Ella Paasio, Sayani Majumdar   +2 more
wiley   +1 more source

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

Advanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler   +5 more
wiley   +1 more source

Optimal control of spin systems. [PDF]

Sci Adv
Glaser SJ, Koch C, Nielsen NC, Sugny D, Suter D.   +4 more
europepmc   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Heavy‐Atom Tunneling at Room Temperature Revealed by Instanton Theory

Angewandte Chemie, EarlyView.
Usually, tunneling does not play a significant role in chemical reactions except at low temperature, especially when heavy atoms are involved. However, using nonadiabatic instanton theory we find that heavy‐atom tunneling dominates the reaction mechanism for spin‐forbidden processes in the synthesis of strained organic molecules even at room ...
Debaarjun Mukherjee, Kamil D. Petryczkiewicz, Jeremy O. Richardson   +2 more
wiley   +2 more sources

All-optical control of second-harmonic generation in β-BaB₂O₄ via coherent, terahertz-driven acentric lattice displacement. [PDF]

Nat Commun
Giorgianni F, Colonna N, Nagamine G, Spitz L, Matmon G, Trisorio A, Forget N, Vicario C, Cavalieri AL.   +8 more
europepmc   +1 more source

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

Advanced Intelligent Discovery, EarlyView.
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa, Tejs Vegge, Jes Frellsen   +2 more
wiley   +1 more source

Non‐Covalent PL, CD, and CPL Activation of Linear Aromatic Oligomers within Axially Chiral Aromatic Capsules

Angewandte Chemie, EarlyView.
Linear aromatic oligomers display intense photoluminescence (PL), circular dichroism (CD), and circularly polarized luminescence (CPL) properties upon non‐covalent encapsulation by axially‐chiral aromatic capsules under ambient aqueous conditions.
Yoshihisa Hashimoto, Yuya Tanaka, Daiki Tauchi, Masashi Hasegawa, Michito Yoshizawa   +4 more
wiley   +2 more sources

Thermally Reconfigurable Metasurfaces: From Linear Wavefront Control to Nonlinear and Chemical Functionality. [PDF]

Nano Lett
Karaman OC, Naidu GN, Di Francescantonio A, Dall'Aglio D, Dayi EN, Davidova G, Tagliabue G.   +6 more
europepmc   +1 more source

Exploiting Ferroelectric and Spintronic Dynamics for Neural Network Computation

Advanced Intelligent Systems, EarlyView.
Ferroelectric and spintronic devices, relying on the control of polarization and magnetization, offer intrinsically fast, durable, energy‐efficient, and low‐latency building blocks for analog in‐memory computing. The hysteretic dynamics of an order parameter are leveraged to provide nonvolatile, multistate memory and nonlinear switching. Brain‐inspired
Dashiell Harrison, Kevin Nadaud, Josquin Harrison, Guillaume F. Nataf, Laura Bégon‐Lours   +4 more
wiley   +1 more source