Results 191 to 200 of about 89,565 (306)

Centroid Molecular Dynamics Can Be Greatly Accelerated through Neural Network Learned Centroid Forces Derived from Path Integral Molecular Dynamics. [PDF]

J Chem Theory Comput, 2022
Loose TD, Sahrmann PG, Voth GA.
europepmc   +1 more source

All‐in‐One Analog AI Hardware: On‐Chip Training and Inference with Conductive‐Metal‐Oxide/HfOx ReRAM Devices

Advanced Functional Materials, EarlyView.
An all‐in‐one analog AI accelerator is presented, enabling on‐chip training, weight retention, and long‐term inference acceleration. It leverages a BEOL‐integrated CMO/HfOx ReRAM array with low‐voltage operation (<1.5 V), multi‐bit capability over 32 states, low programming noise (10 nS), and near‐ideal weight transfer.
Donato Francesco Falcone, Victoria Clerico, Wooseok Choi, Tommaso Stecconi, Folkert Horst, Laura Bégon‐Lours, Matteo Galetta, Antonio La Porta, Nikhil Garg, Fabien Alibart, Bert Jan Offrein, Valeria Bragaglia   +11 more
wiley   +1 more source

Accelerated Free Energy Estimation in <i>Ab Initio</i> Path Integral Monte Carlo Simulations. [PDF]

J Phys Chem Lett
Svensson P, Kalkavouras F, Hernandez Acosta U, Moldabekov ZA, Tolias P, Vorberger J, Dornheim T.   +6 more
europepmc   +1 more source

Robotic Manipulation Planning for Automatic Peeling of Glass Substrate Based on Online Learning Model Predictive Path Integral. [PDF]

Sensors (Basel), 2022
Hou L, Wang H, Zou H, Zhou Y.
europepmc   +1 more source

Printed Integrated Logic Circuits Based on Chitosan‐Gated Organic Transistors for Future Edible Systems

Advanced Functional Materials, EarlyView.
Edible electronics needs integrated logic circuits for computation and control. This work presents a potentially edible printed chitosan‐gated transistor with a design optimized for integration in circuits. Its implementation in integrated logic gates and circuits operating at low voltage (0.7 V) is demonstrated, as well as the compatibility with an ...
Giulia Coco, Valerio Francesco Annese, Valerio Galli, Ilaria Penna, Debora Russo, Marina Veronesi, Rita Scarpelli, Stefania Sabella, Mario Caironi   +8 more
wiley   +1 more source

Including Quantum Effects in Molecular Simulations Using the Feynman-Kleinert Linearized Path Integral Method. [PDF]

Entropy (Basel)
Poulsen JA, Nyman G.
europepmc   +1 more source

Exploring Curvature Effects in Direct‐Written 3D Curved Hollow Magnetic Nanoshells

Advanced Functional Materials, EarlyView.
Fabricated by a hybrid FEBID/CVD method, 3D PtC/Co3Fe core–shell heterostructures with engineered curvature and shell thickness exhibit complex reversal modes with axially symmetric N'eel‐type domain walls. XMCD‐PEEM combined with full‐scale micromagnetic simulations reveal how curvature and thickness govern the domain wall energy landscape and shape ...
Oleksii M. Volkov, Fabrizio Porrati, Florian Kronast, Riccardo Hertel, Pavlo Makushko, Olha Bezsmertna, Alexander Kuprava, Mohamad‐Assaad Mawass, Sven Barth, Michael Huth, Denys Makarov   +10 more
wiley   +1 more source

Application of Deconvolution in Path Integral Simulations. [PDF]

J Chem Theory Comput
Madarász Á, Laczkó G.
europepmc   +1 more source

Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential. [PDF]

J Phys Chem A, 2021
Xue Y, Wang JN, Hu W, Zheng J, Li Y, Pan X, Mo Y, Shao Y, Wang L, Mei Y.   +9 more
europepmc   +1 more source

Ferroelectricity in Antiferromagnetic Wurtzite Nitrides

Advanced Functional Materials, EarlyView.
We establish MnSiN2${\rm MnSiN}_2$ and MnGeN2${\rm MnGeN}_2$ as aristotypes of a new multiferroic wurtzite family that simultaneously exhibits ferroelectricity and antiferromagnetism with altermagnetic spin splitting. By strategically substituting alkaline‐earth metals, we predict new materials with coexisting switchable polarization, spin texture, and
Steven M. Baksa, Lin‐Ding Yuan, Stephen D. Wilson, James M. Rondinelli   +3 more
wiley   +1 more source